3-methyl-8-[(2R)-3-oxidanylidenebutan-2-yl]sulfanyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[(2R)-3-oxidanylidenebutan-2-yl]sulfanyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-[(1R)-1-methyl-2-oxo-propyl]sulfanyl-purine-2,6-dione CAS Name: 3-methyl-8-[[(2R)-3-oxobutan-2-yl]thio]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-[(2R)-3-oxobutan-2-yl]sulfanylpurine-2,6-dione Traditional Name: 7-benzyl-8-[[(1R)-2-keto-1-methyl-propyl]thio]-3-methyl-xanthine Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

C[C@H](C(=O)C)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H18N4O3S/c1-10(22)11(2)25-17-18-14-13(15(23)19-16(24)20(14)3)21(17)9-12-7-5-4-6-8-12/h4-8,11H,9H2,1-3H3,(H,19,23,24)/t11-/m1/s1