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

Systemtic Name: 3-butyl-7-ethyl-8-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]xanthine Formula: C16H22N6O2S3 MolecularWeight: 426.57988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O2S3/c1-4-7-8-22-12-11(13(23)18-14(22)24)21(5-2)10(17-12)9-26-16-20-19-15(27-16)25-6-3/h4-9H2,1-3H3,(H,18,23,24)