2-azanyl-1-ethanoyl-7-[(4-nitrophenyl)methyl]purin-6-one

Systemtic Name: 2-azanyl-1-ethanoyl-7-[(4-nitrophenyl)methyl]purin-6-one Openeye Name: 1-acetyl-2-amino-7-[(4-nitrophenyl)methyl]purin-6-one CAS Name: 1-acetyl-2-amino-7-[(4-nitrophenyl)methyl]-6-purinone IUPAC Name: 1-acetyl-2-amino-7-[(4-nitrophenyl)methyl]purin-6-one Traditional Name: 1-acetyl-2-amino-7-(4-nitrobenzyl)purin-6-one Formula: C14H12N6O4 MolecularWeight: 328.28288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N=C1N

Isomeric SMILES

CC(=O)N1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N=C1N

InChI

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