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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2C)C(=O)NC(=O)N3C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2C)C(=O)NC(=O)N3C

InChI

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