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

Systemtic Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanyl-purine-2,6-dione Openeye Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanyl-purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(phenylthio)purine-2,6-dione IUPAC Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione Traditional Name: 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-(phenylthio)xanthine Formula: C20H16Cl2N4O2S MolecularWeight: 447.33764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=CC=C3)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=CC=C3)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H16Cl2N4O2S/c1-24-17-16(18(27)25(2)20(24)28)26(11-12-8-9-14(21)15(22)10-12)19(23-17)29-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3