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

Systemtic Name: 8-(2-aminophenyl)sulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(2-aminophenyl)sulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(2-aminophenyl)thio]-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-aminophenyl)sulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(2-aminophenyl)thio]-7-(4-chlorobenzyl)-1,3-dimethyl-xanthine Formula: C20H18ClN5O2S MolecularWeight: 427.90722

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=CC=C3N)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=CC=C3N)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN5O2S/c1-24-17-16(18(27)25(2)20(24)28)26(11-12-7-9-13(21)10-8-12)19(23-17)29-15-6-4-3-5-14(15)22/h3-10H,11,22H2,1-2H3