3-methyl-7-[(3-methylphenyl)methyl]-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione Openeye Name: 3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]xanthine Formula: C17H16N6O2S2 MolecularWeight: 400.47794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2SC4=NN=C(S4)C)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2SC4=NN=C(S4)C)N(C(=O)NC3=O)C

InChI

InChI=1S/C17H16N6O2S2/c1-9-5-4-6-11(7-9)8-23-12-13(22(3)15(25)19-14(12)24)18-16(23)27-17-21-20-10(2)26-17/h4-7H,8H2,1-3H3,(H,19,24,25)