7-(3-oxidanylidenebutyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(3-oxidanylidenebutyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(3-oxobutyl)purine-2,6-dione CAS Name: 7-(3-oxobutyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(3-oxobutyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(3-ketobutyl)xanthine Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O3/c1-11(21)7-8-19-10-17-14-13(19)15(22)18-16(23)20(14)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,18,22,23)