2-[(3-fluorophenyl)carbonylamino]-4-(4-methyl-2-piperidin-1-yl-pyrimidin-5-yl)thiophene-3-carboxylic acid

Systemtic Name: 2-[(3-fluorophenyl)carbonylamino]-4-(4-methyl-2-piperidin-1-yl-pyrimidin-5-yl)thiophene-3-carboxylic acid Openeye Name: 2-[(3-fluorobenzoyl)amino]-4-[4-methyl-2-(1-piperidyl)pyrimidin-5-yl]thiophene-3-carboxylic acid CAS Name: 2-[[(3-fluorophenyl)-oxomethyl]amino]-4-[4-methyl-2-(1-piperidinyl)-5-pyrimidinyl]-3-thiophenecarboxylic acid IUPAC Name: 2-[(3-fluorobenzoyl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid Traditional Name: 2-[(3-fluorobenzoyl)amino]-4-(4-methyl-2-piperidino-pyrimidin-5-yl)-3-thenoic acid Formula: C22H21FN4O3S MolecularWeight: 440.490543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C2=CSC(=C2C(=O)O)NC(=O)C3=CC(=CC=C3)F)N4CCCCC4

Isomeric SMILES

CC1=NC(=NC=C1C2=CSC(=C2C(=O)O)NC(=O)C3=CC(=CC=C3)F)N4CCCCC4

InChI

InChI=1S/C22H21FN4O3S/c1-13-16(11-24-22(25-13)27-8-3-2-4-9-27)17-12-31-20(18(17)21(29)30)26-19(28)14-6-5-7-15(23)10-14/h5-7,10-12H,2-4,8-9H2,1H3,(H,26,28)(H,29,30)