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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

InChI

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