8-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-8-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-8-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-1,3-dimethyl-xanthine Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)C3=CC(=CC=C3)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)C3=CC(=CC=C3)OC)N(C(=O)N(C2=O)C)C

InChI

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