8-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[(4-chlorophenyl)-phenylmethyl]thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[[(4-chlorophenyl)-phenyl-methyl]thio]-1,3,7-trimethyl-xanthine Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H19ClN4O2S/c1-24-16-18(25(2)21(28)26(3)19(16)27)23-20(24)29-17(13-7-5-4-6-8-13)14-9-11-15(22)12-10-14/h4-12,17H,1-3H3