3-methyl-7-[(4-methylphenyl)methyl]-8-(4-methylpyrimidin-2-yl)sulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-(4-methylpyrimidin-2-yl)sulfanyl-purine-2,6-dione Openeye Name: 3-methyl-8-(4-methylpyrimidin-2-yl)sulfanyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-[(4-methyl-2-pyrimidinyl)thio]purine-2,6-dione IUPAC Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-(4-methylpyrimidin-2-yl)sulfanylpurine-2,6-dione Traditional Name: 3-methyl-7-(4-methylbenzyl)-8-[(4-methylpyrimidin-2-yl)thio]xanthine Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2SC4=NC=CC(=N4)C)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2SC4=NC=CC(=N4)C)N(C(=O)NC3=O)C

InChI

InChI=1S/C19H18N6O2S/c1-11-4-6-13(7-5-11)10-25-14-15(24(3)18(27)23-16(14)26)22-19(25)28-17-20-9-8-12(2)21-17/h4-9H,10H2,1-3H3,(H,23,26,27)