8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propyl]-3-methyl-xanthine Formula: C24H27N7O2S MolecularWeight: 477.58188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCN2C3=C(N=C2N4CCC5=CC=CC=C5C4)N(C(=O)NC3=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCN2C3=C(N=C2N4CCC5=CC=CC=C5C4)N(C(=O)NC3=O)C)C

InChI

InChI=1S/C24H27N7O2S/c1-15-13-16(2)26-22(25-15)34-12-6-10-31-19-20(29(3)24(33)28-21(19)32)27-23(31)30-11-9-17-7-4-5-8-18(17)14-30/h4-5,7-8,13H,6,9-12,14H2,1-3H3,(H,28,32,33)