1,3-dimethyl-7-(1-oxidanylidene-1-phenyl-propan-2-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(1-oxidanylidene-1-phenyl-propan-2-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-methyl-2-oxo-2-phenyl-ethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-oxo-1-phenylpropan-2-yl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(1-oxo-1-phenylpropan-2-yl)purine-2,6-dione Traditional Name: 7-(2-keto-1-methyl-2-phenyl-ethyl)-1,3-dimethyl-xanthine Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H16N4O3/c1-10(13(21)11-7-5-4-6-8-11)20-9-17-14-12(20)15(22)19(3)16(23)18(14)2/h4-10H,1-3H3