2-azanyl-8-ethanoyl-7-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-8-ethanoyl-7-(phenylmethyl)-3H-purin-6-one Openeye Name: 8-acetyl-2-amino-7-benzyl-3H-purin-6-one CAS Name: 8-acetyl-2-amino-7-(phenylmethyl)-3H-purin-6-one IUPAC Name: 8-acetyl-2-amino-7-benzyl-3H-purin-6-one Traditional Name: 8-acetyl-2-amino-7-benzyl-3H-purin-6-one Formula: C14H13N5O2 MolecularWeight: 283.28532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)N=C(N2)N

Isomeric SMILES

CC(=O)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)N=C(N2)N

InChI

InChI=1S/C14H13N5O2/c1-8(20)12-16-11-10(13(21)18-14(15)17-11)19(12)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H3,15,17,18,21)