2-azanyl-5-[[(4-methoxy-2-nitro-phenyl)amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-5-[[(4-methoxy-2-nitro-phenyl)amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-[(4-methoxy-2-nitro-anilino)methyl]pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5-[(4-methoxy-2-nitroanilino)methyl]-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 2-amino-5-[(4-methoxy-2-nitroanilino)methyl]pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-[(4-methoxy-2-nitro-anilino)methyl]pyrrolo[2,3-d]pyrimidin-4-one Formula: C14H12N6O4 MolecularWeight: 328.28288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NCC2=C3C(=NC(=NC3=O)N)N=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NCC2=C3C(=NC(=NC3=O)N)N=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N6O4/c1-24-8-2-3-9(10(4-8)20(22)23)16-5-7-6-17-12-11(7)13(21)19-14(15)18-12/h2-4,6,16H,5H2,1H3,(H2,15,19,21)