2-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate

Systemtic Name: 2-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Openeye Name: 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate CAS Name: 2-[[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]thio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate IUPAC Name: 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Traditional Name: 2-[[2-(4-benzhydrylpiperazino)-2-keto-ethyl]thio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Formula: C26H27N4O2S- MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(N=C2[O-])SCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)N=C(N=C2[O-])SCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N4O2S/c31-23(18-33-26-27-22-13-7-12-21(22)25(32)28-26)29-14-16-30(17-15-29)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,24H,7,12-18H2,(H,27,28,32)/p-1