8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzothiazol-2-ylthio)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(1,3-benzothiazol-2-ylthio)-7-(2-chlorobenzyl)-1,3-dimethyl-xanthine Formula: C21H16ClN5O2S2 MolecularWeight: 469.96704

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5Cl

InChI

InChI=1S/C21H16ClN5O2S2/c1-25-17-16(18(28)26(2)21(25)29)27(11-12-7-3-4-8-13(12)22)19(24-17)31-20-23-14-9-5-6-10-15(14)30-20/h3-10H,11H2,1-2H3