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

Systemtic Name: 1-[3-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]propyl]-3,7-dimethyl-xanthine Formula: C16H22N6O2S3 MolecularWeight: 426.57988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCCCSC1=NN=C(S1)SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C16H22N6O2S3/c1-4-5-8-25-14-18-19-15(27-14)26-9-6-7-22-13(23)11-12(17-10-20(11)2)21(3)16(22)24/h10H,4-9H2,1-3H3