7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-pyrimidinylthio)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-pyrimidylthio)xanthine Formula: C18H15ClN6O2S MolecularWeight: 414.8687

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC=CC=N3)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC=CC=N3)CC4=CC=CC=C4Cl

InChI

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