4-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile Openeye Name: 4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile CAS Name: 4-[[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]thio]-2,6-dimethyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]sulfanyl-2,6-dimethylpyrimidine-5-carbonitrile Traditional Name: 4-[[2-(4-benzhydrylpiperazino)-2-keto-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carbonitrile Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H27N5OS/c1-19-23(17-27)26(29-20(2)28-19)33-18-24(32)30-13-15-31(16-14-30)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,25H,13-16,18H2,1-2H3