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

Systemtic Name: 3,7-dimethyl-1-[3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propyl]xanthine Formula: C18H18N6O2S3 MolecularWeight: 446.56952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN(C(=S)S3)C4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN(C(=S)S3)C4=CC=CC=C4

InChI

InChI=1S/C18H18N6O2S3/c1-21-11-19-14-13(21)15(25)23(17(26)22(14)2)9-6-10-28-16-20-24(18(27)29-16)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3