7-butyl-8-[2-(4-hydroxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-[2-(4-hydroxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-butyl-8-[2-(4-hydroxyphenyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-butyl-8-[[2-(4-hydroxyphenyl)-2-oxoethyl]thio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-butyl-8-[2-(4-hydroxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-butyl-8-[[2-(4-hydroxyphenyl)-2-keto-ethyl]thio]-1,3-dimethyl-xanthine Formula: C19H22N4O4S MolecularWeight: 402.46738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H22N4O4S/c1-4-5-10-23-15-16(21(2)19(27)22(3)17(15)26)20-18(23)28-11-14(25)12-6-8-13(24)9-7-12/h6-9,24H,4-5,10-11H2,1-3H3