1,3-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(1-methyl-2-imidazolyl)thio]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-1,3-dimethyl-8-[(1-methylimidazol-2-yl)thio]xanthine Formula: C14H18N6O2S MolecularWeight: 334.39672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SC3=NC=CN3C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SC3=NC=CN3C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H18N6O2S/c1-8(2)20-9-10(18(4)14(22)19(5)11(9)21)16-13(20)23-12-15-6-7-17(12)3/h6-8H,1-5H3