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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(4-methylthiazol-2-yl)sulfanyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methyl-2-thiazolyl)thio]purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-[(4-methylthiazol-2-yl)thio]xanthine Formula: C17H14ClN5O2S2 MolecularWeight: 419.90836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CSC(=N1)SC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C17H14ClN5O2S2/c1-9-8-26-17(19-9)27-16-20-13-12(14(24)21-15(25)22(13)2)23(16)7-10-5-3-4-6-11(10)18/h3-6,8H,7H2,1-2H3,(H,21,24,25)