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

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]-2-methylpropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-7-[3-[(4,6-dimethylpyrimidin-2-yl)thio]-2-methyl-propyl]-3-methyl-xanthine Formula: C25H29N7O2S MolecularWeight: 491.60846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(C)CN2C3=C(N=C2N4CCC5=CC=CC=C5C4)N(C(=O)NC3=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(C)CN2C3=C(N=C2N4CCC5=CC=CC=C5C4)N(C(=O)NC3=O)C)C

InChI

InChI=1S/C25H29N7O2S/c1-15(14-35-23-26-16(2)11-17(3)27-23)12-32-20-21(30(4)25(34)29-22(20)33)28-24(32)31-10-9-18-7-5-6-8-19(18)13-31/h5-8,11,15H,9-10,12-14H2,1-4H3,(H,29,33,34)