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

Systemtic Name: 7-butyl-8-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-butyl-8-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-butyl-8-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-butyl-8-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-butyl-8-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-1,3-dimethyl-xanthine Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-6-7-10-25-17-18(23(2)21(28)24(3)19(17)27)22-20(25)31-12-14(26)13-8-9-15(29-4)16(11-13)30-5/h8-9,11H,6-7,10,12H2,1-5H3