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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C24H24N3O2S- MolecularWeight: 418.53126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC(=CC(=N3)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC(=CC(=N3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S/c28-22-16-21(20-9-5-2-6-10-20)25-24(26-22)30-17-23(29)27-13-11-19(12-14-27)15-18-7-3-1-4-8-18/h1-10,16,19H,11-15,17H2,(H,25,26,28)/p-1