8-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(4,5-dihydrothiazol-2-ylsulfanyl)-1,3-dimethyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-(4,5-dihydrothiazol-2-ylthio)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylbenzyl)-8-(2-thiazolin-2-ylthio)xanthine Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2SC4=NCCS4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2SC4=NCCS4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C18H19N5O2S2/c1-11-6-4-5-7-12(11)10-23-13-14(21(2)18(25)22(3)15(13)24)20-16(23)27-17-19-8-9-26-17/h4-7H,8-10H2,1-3H3