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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-methylpyrimidin-2-yl)sulfanyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-methylpyrimidin-2-yl)sulfanyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methyl-2-pyrimidinyl)thio]purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-methylpyrimidin-2-yl)sulfanylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-[(4-methylpyrimidin-2-yl)thio]xanthine Formula: C18H15ClN6O2S MolecularWeight: 414.8687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=NC(=NC=C1)SC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C18H15ClN6O2S/c1-10-7-8-20-16(21-10)28-18-22-14-13(15(26)23-17(27)24(14)2)25(18)9-11-5-3-4-6-12(11)19/h3-8H,9H2,1-2H3,(H,23,26,27)