2-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(4-benzhydrylpiperazino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C26H29N4O2S- MolecularWeight: 461.59906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C26H30N4O2S/c1-2-9-22-18-23(31)28-26(27-22)33-19-24(32)29-14-16-30(17-15-29)25(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18,25H,2,9,14-17,19H2,1H3,(H,27,28,31)/p-1