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

Systemtic Name: 8-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-8-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-8-[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]-1,3-dimethyl-xanthine Formula: C23H30N6O4S MolecularWeight: 486.5871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H30N6O4S/c1-15(2)29-19-20(25(3)23(32)26(4)21(19)31)24-22(29)34-14-18(30)28-12-10-27(11-13-28)16-6-8-17(33-5)9-7-16/h6-9,15H,10-14H2,1-5H3