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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=C(C=C(C=C4)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1SC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=C(C=C(C=C4)Cl)Cl)C

InChI

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