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

Systemtic Name: 4-azanyl-7-[(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 4-amino-7-[(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 4-amino-7-[(3-nitrophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-amino-7-[(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 4-amino-7-(3-nitrobenzyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C14H10N6O2 MolecularWeight: 294.2682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=C(C3=C2N=CN=C3N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=C(C3=C2N=CN=C3N)C#N

InChI

InChI=1S/C14H10N6O2/c15-5-10-7-19(14-12(10)13(16)17-8-18-14)6-9-2-1-3-11(4-9)20(21)22/h1-4,7-8H,6H2,(H2,16,17,18)