6-azanyl-4-(methylamino)-7-[(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Systemtic Name: 6-azanyl-4-(methylamino)-7-[(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 6-amino-4-(methylamino)-7-[(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 6-amino-4-(methylamino)-7-[(3-nitrophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 6-amino-4-(methylamino)-7-[(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 6-amino-4-(methylamino)-7-(3-nitrobenzyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C15H13N7O2 MolecularWeight: 323.30942

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1C(=C(N2CC3=CC(=CC=C3)[N+](=O)[O-])N)C#N

Isomeric SMILES

CNC1=NC=NC2=C1C(=C(N2CC3=CC(=CC=C3)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C15H13N7O2/c1-18-14-12-11(6-16)13(17)21(15(12)20-8-19-14)7-9-3-2-4-10(5-9)22(23)24/h2-5,8H,7,17H2,1H3,(H,18,19,20)