1-[[4-(2-methylsulfanyl-6-phenyl-pyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[4-(2-methylsulfanyl-6-phenyl-pyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-(2-methylsulfanyl-6-phenyl-pyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[2-(methylthio)-6-phenyl-7-pyrido[2,3-d]pyrimidinyl]phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[2-(methylthio)-6-phenyl-pyrido[2,3-d]pyrimidin-7-yl]benzyl]isonipecotic acid Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=NC(=C(C=C2C=N1)C3=CC=CC=C3)C4=CC=C(C=C4)CN5CCC(CC5)C(=O)O

Isomeric SMILES

CSC1=NC2=NC(=C(C=C2C=N1)C3=CC=CC=C3)C4=CC=C(C=C4)CN5CCC(CC5)C(=O)O

InChI

InChI=1S/C27H26N4O2S/c1-34-27-28-16-22-15-23(19-5-3-2-4-6-19)24(29-25(22)30-27)20-9-7-18(8-10-20)17-31-13-11-21(12-14-31)26(32)33/h2-10,15-16,21H,11-14,17H2,1H3,(H,32,33)