7-[(2-chlorophenyl)methyl]-3-methyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(2-pyrimidinylthio)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-(2-pyrimidylthio)xanthine Formula: C17H13ClN6O2S MolecularWeight: 400.84212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC=CC=N3)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC=CC=N3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C17H13ClN6O2S/c1-23-13-12(14(25)22-16(23)26)24(9-10-5-2-3-6-11(10)18)17(21-13)27-15-19-7-4-8-20-15/h2-8H,9H2,1H3,(H,22,25,26)