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

Systemtic Name: 4,6-bis(azanyl)-7-[(4-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 4,6-diamino-7-[(4-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 4,6-diamino-7-[(4-nitrophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4,6-diamino-7-[(4-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 4,6-diamino-7-(4-nitrobenzyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C14H11N7O2 MolecularWeight: 309.28284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=C(C3=C2N=CN=C3N)C#N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C(=C(C3=C2N=CN=C3N)C#N)N)[N+](=O)[O-]

InChI

InChI=1S/C14H11N7O2/c15-5-10-11-12(16)18-7-19-14(11)20(13(10)17)6-8-1-3-9(4-2-8)21(22)23/h1-4,7H,6,17H2,(H2,16,18,19)