2-methylsulfanyl-4-[[1-(phenylmethyl)piperidin-4-yl]amino]pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4-[[1-(phenylmethyl)piperidin-4-yl]amino]pyrimidine-5-carboxylic acid Openeye Name: 4-[(1-benzyl-4-piperidyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-(methylthio)-4-[[1-(phenylmethyl)-4-piperidinyl]amino]-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(1-benzylpiperidin-4-yl)amino]-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[(1-benzyl-4-piperidyl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CSC1=NC=C(C(=N1)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H22N4O2S/c1-25-18-19-11-15(17(23)24)16(21-18)20-14-7-9-22(10-8-14)12-13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,23,24)(H,19,20,21)