2-azanyl-5-[[(3-nitrophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-5-[[(3-nitrophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-[[(3-nitrophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5-[[(3-nitrophenyl)methylamino]methyl]-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 2-amino-5-[[(3-nitrophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-[[(3-nitrobenzyl)amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Formula: C14H12N6O3 MolecularWeight: 312.28348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNCC2=C3C(=NC(=NC3=O)N)N=C2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNCC2=C3C(=NC(=NC3=O)N)N=C2

InChI

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