2-azanyl-9-ethanoyl-8-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-9-ethanoyl-8-(phenylmethyl)-3H-purin-6-one Openeye Name: 9-acetyl-2-amino-8-benzyl-3H-purin-6-one CAS Name: 9-acetyl-2-amino-8-(phenylmethyl)-3H-purin-6-one IUPAC Name: 9-acetyl-2-amino-8-benzyl-3H-purin-6-one Traditional Name: 9-acetyl-2-amino-8-benzyl-3H-purin-6-one Formula: C14H13N5O2 MolecularWeight: 283.28532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC2=C1NC(=NC2=O)N)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C(=NC2=C1NC(=NC2=O)N)CC3=CC=CC=C3

InChI

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