2-azanyl-7-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-7-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-3H-purin-6-one Openeye Name: 2-amino-7-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-3H-purin-6-one CAS Name: 2-amino-7-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-3H-purin-6-one IUPAC Name: 2-amino-7-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-3H-purin-6-one Traditional Name: 2-amino-7-[4-methoxy-3-(3-nitrophenyl)benzyl]-3H-purin-6-one Formula: C19H16N6O4 MolecularWeight: 392.36814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)N)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)N)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O4/c1-29-15-6-5-11(7-14(15)12-3-2-4-13(8-12)25(27)28)9-24-10-21-17-16(24)18(26)23-19(20)22-17/h2-8,10H,9H2,1H3,(H3,20,22,23,26)