7-ethyl-8-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-ethyl-8-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-ethyl-8-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-ethyl-8-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-ethyl-8-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-ethyl-8-[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]-1,3-dimethyl-xanthine Formula: C22H28N6O4S MolecularWeight: 472.56052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H28N6O4S/c1-5-28-18-19(24(2)22(31)25(3)20(18)30)23-21(28)33-14-17(29)27-12-10-26(11-13-27)15-6-8-16(32-4)9-7-15/h6-9H,5,10-14H2,1-4H3