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

Systemtic Name: 3,7-dimethyl-1-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]xanthine Formula: C13H16N6O2S2 MolecularWeight: 352.43514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC1=NN=C(S1)SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C13H16N6O2S2/c1-8-15-16-12(23-8)22-6-4-5-19-11(20)9-10(14-7-17(9)2)18(3)13(19)21/h7H,4-6H2,1-3H3