5-ethyl-6-methyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-ethyl-6-methyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate CAS Name: 5-ethyl-6-methyl-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-ethyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-5-ethyl-6-methyl-pyrimidin-4-olate Formula: C21H26N3O2S- MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O2S/c1-3-18-15(2)22-21(23-20(18)26)27-14-19(25)24-11-9-17(10-12-24)13-16-7-5-4-6-8-16/h4-8,17H,3,9-14H2,1-2H3,(H,22,23,26)/p-1