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

Systemtic Name: 3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione CAS Name: 3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]xanthine Formula: C16H14N6O2S2 MolecularWeight: 386.45136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=NN=C(S1)SC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C16H14N6O2S2/c1-9-19-20-16(25-9)26-15-17-12-11(13(23)18-14(24)21(12)2)22(15)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,18,23,24)