3-butyl-7-ethyl-8-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]xanthine Formula: C15H20N6O2S3 MolecularWeight: 412.5533

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(S3)SC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(S3)SC)CC

InChI

InChI=1S/C15H20N6O2S3/c1-4-6-7-21-11-10(12(22)17-13(21)23)20(5-2)9(16-11)8-25-15-19-18-14(24-3)26-15/h4-8H2,1-3H3,(H,17,22,23)