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

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]purine-2,6-dione Openeye Name: 3-methyl-8-(4-methylthiazol-2-yl)sulfanyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-2-thiazolyl)thio]purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-[(4-methylthiazol-2-yl)thio]xanthine Formula: C18H17N5O2S2 MolecularWeight: 399.48988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2SC4=NC(=CS4)C)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2SC4=NC(=CS4)C)N(C(=O)NC3=O)C

InChI

InChI=1S/C18H17N5O2S2/c1-10-5-4-6-12(7-10)8-23-13-14(22(3)16(25)21-15(13)24)20-17(23)27-18-19-11(2)9-26-18/h4-7,9H,8H2,1-3H3,(H,21,24,25)