| Formula |
C21H26N8S |
| IUPAC Name |
n8-(cyclopropylmethyl)-n4-(2-methylsulfanylphenyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidine-4,8-diamine |
| Molecular Mass |
422.550 g·mol−1 |
| Heat of Formation |
509.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.98 ± 1.08 D |
| Volume |
500.5 Å 3 |
| Surface Area |
441.47 Å 2 |
| HOMO Energy |
-7.96 ± 0.55 eV |
| LUMO Energy |
1.33 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
HFLMLZKGLUEWBU-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
S
N
|
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