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

Systemtic Name: 4-azanyl-7-[(4-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide Openeye Name: 4-amino-7-[(4-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide CAS Name: 4-amino-7-[(4-nitrophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-amino-7-[(4-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide Traditional Name: 4-amino-7-(4-nitrobenzyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide Formula: C14H12N6O3 MolecularWeight: 312.28348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N6O3/c15-12-11-10(13(16)21)6-19(14(11)18-7-17-12)5-8-1-3-9(4-2-8)20(22)23/h1-4,6-7H,5H2,(H2,16,21)(H2,15,17,18)