7-[[2,6-bis(chloranyl)phenyl]methyl]-1,3-dimethyl-8-phenylsulfanyl-purine-2,6-dione

Systemtic Name: 7-[[2,6-bis(chloranyl)phenyl]methyl]-1,3-dimethyl-8-phenylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanyl-purine-2,6-dione CAS Name: 7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-(phenylthio)purine-2,6-dione IUPAC Name: 7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-phenylsulfanylpurine-2,6-dione Traditional Name: 7-(2,6-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=C(C=CC=C4Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=CC=C3)CC4=C(C=CC=C4Cl)Cl

InChI

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