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

Systemtic Name: 3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-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-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]xanthine Formula: C12H12N6O2S2 MolecularWeight: 336.39268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=NN=C(S1)SC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C

InChI

InChI=1S/C12H12N6O2S2/c1-4-5-18-7-8(17(3)10(20)14-9(7)19)13-11(18)22-12-16-15-6(2)21-12/h4H,1,5H2,2-3H3,(H,14,19,20)