9-[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]-3-methyl-purine-2,6-dione

Systemtic Name: 9-[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]-3-methyl-purine-2,6-dione Openeye Name: 9-[(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 9-[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl]-3-methylpurine-2,6-dione IUPAC Name: 9-[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl]-3-methylpurine-2,6-dione Traditional Name: 9-[(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl]-3-methyl-xanthine Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)N2C=NC3=C2N(C(=O)NC3=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)N2C=NC3=C2N(C(=O)NC3=O)C

InChI

InChI=1S/C17H18N4O4/c1-4-25-12-7-5-11(6-8-12)14(22)10(2)21-9-18-13-15(23)19-17(24)20(3)16(13)21/h5-10H,4H2,1-3H3,(H,19,23,24)/t10-/m0/s1