{
"ark": "ark:/c7614/q4qn5zw91",
"cas": "95651-93-7",
"chemspider_id": 111788,
"doi": "10.17614/Q4QN5ZW91",
"elements": [
"H",
"C",
"O",
"N"
],
"exact mass": 508.2083700580007,
"formula": "C26H24N10O2",
"inchi": "InChI=1S/C26H24N10O2/c27-23-19-9-17(5-7-21(19)31-25(29)33-23)35(13-37)11-15-1-2-16(4-3-15)12-36(14-38)18-6-8-22-20(10-18)24(28)34-26(30)32-22/h1-10,13-14H,11-12H2,(H4,27,29,31,33)(H4,28,30,32,34)",
"inchikey": "XUOCSEXCVUKECB-UHFFFAOYSA-N",
"iupac_name": "[[2,4-bis(λ1-azanyl)-8H-quinazoline-1,3-diium-8-id-6-yl]-[[4-[[[2,4-bis(λ1-azanyl)quinazoline-1,3-diium-6-yl]-(oxomethyl)amino]methyl]phenyl]methyl]amino]methanone",
"molecular mass": 508.53456000000006,
"name": "n,n'-[1,4-phenylenebis(methylene)]bis[n-(2,4-diamino-6-quinazolinyl)formamide]",
"pm7": {
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"dipole": [
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],
"dipoleMoment": 12.815,
"heatOfFormation": 2104.87247,
"homo": 0.0,
"lumo": 0.0,
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"polarizability": 54.184351,
"rotational": [
"0.00385206",
"0.00352820",
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],
"surfaceArea": 412.28,
"volume": 590.13
},
"pointGroup": "C1",
"pubchem_cid": 125681,
"shortdoi": "10/f3cdsv",
"smiles": "O=CN(c1ccc2c(c1)c(N)nc(n2)N)Cc1ccc(cc1)CN(c1ccc2c(c1)c(N)nc(n2)N)C=O",
"synonyms": [
"4,4'-bis(2,4-diaminoquinazol-6-(n-formyl-aminomethyl))benzene",
"daq-famb",
"n-(2,4-diamino-6-quinazolinyl)-n-[[4-[[(2,4-diamino-6-quinazolinyl)-formylamino]methyl]phenyl]methyl]formamide",
"n-(2,4-diaminoquinazolin-6-yl)-n-[4-[[(2,4-diaminoquinazolin-6-yl)-formyl-amino]methyl]benzyl]formamide",
"n-(2,4-diaminoquinazolin-6-yl)-n-[[4-[[(2,4-diaminoquinazolin-6-yl)-formyl-amino]methyl]phenyl]methyl]formamide",
"n-(2,4-diaminoquinazolin-6-yl)-n-[[4-[[(2,4-diaminoquinazolin-6-yl)-formylamino]methyl]phenyl]methyl]formamide",
"n-(2,4-diaminoquinazolin-6-yl)-n-[[4-[[(2,4-diaminoquinazolin-6-yl)-methanoyl-amino]methyl]phenyl]methyl]methanamide"
],
"tags": [
"hydrophilic",
"amide",
"alkyl",
"aromatic",
"benzene_ring",
"carbonyl",
"base",
"ring",
"aniline"
],
"wiki": ""
}