7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-pyridin-2-ylsulfanyl-purine-2,6-dione

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-pyridin-2-ylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(2-pyridylsulfanyl)purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(2-pyridinylthio)purine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-pyridin-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-1,3-dimethyl-8-(2-pyridylthio)xanthine Formula: C19H15Cl2N5O2S MolecularWeight: 448.3257

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=CC=N3)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=CC=N3)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H15Cl2N5O2S/c1-24-16-15(17(27)25(2)19(24)28)26(10-11-6-7-12(20)9-13(11)21)18(23-16)29-14-5-3-4-8-22-14/h3-9H,10H2,1-2H3