2-azanyl-8-ethanoyl-7-[(4-nitrophenyl)methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-8-ethanoyl-7-[(4-nitrophenyl)methyl]-3H-purin-6-one Openeye Name: 8-acetyl-2-amino-7-[(4-nitrophenyl)methyl]-3H-purin-6-one CAS Name: 8-acetyl-2-amino-7-[(4-nitrophenyl)methyl]-3H-purin-6-one IUPAC Name: 8-acetyl-2-amino-7-[(4-nitrophenyl)methyl]-3H-purin-6-one Traditional Name: 8-acetyl-2-amino-7-(4-nitrobenzyl)-3H-purin-6-one Formula: C14H12N6O4 MolecularWeight: 328.28288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC2=C(N1CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N=C(N2)N

Isomeric SMILES

CC(=O)C1=NC2=C(N1CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N=C(N2)N

InChI

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