2-Amino-7-(Thiophen-3-Ylmethyl)-5H-Pyrrolo[3,2-D]Pyrimidin-4-Ol

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Formula C11H17N4OS+
IUPAC Name 2-amino-7-(3-thienylmethyl)-5,6-dihydro-1h-pyrrolo[3,2-d]pyrimidine-2,3,4a,6,7,7a-hexaid-4-one
Molecular Mass 253.344 g·mol−1
Heat of Formation 148.5 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 274.44 Å 3
Surface Area 246.16 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-1,5-dihydro-7-(3-thienylmethyl)-4h-pyrrolo(3,2-d)pyrimidin-4-one
  • 2-amino-7-(3-thienylmethyl)-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • 2-amino-7-(thiophen-3-ylmethyl)-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • 4h-pyrrolo(3,2-d)pyrimidin-4-one, 2-amino-1,5-dihydro-7-(3-thienylmethyl)-
  • 9-deaza-9-(3-thienylmethyl)guanine
  • ci 1000
  • ci 1000 (immunosuppressant)
  • pd 141955
CAS Number(s)
  • 132138-76-2
InChIKey QDPMHXUWMPNTEQ-UHFFFAOYSA-N
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