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

Systemtic Name: 2-[(5-chloranyl-1-methyl-pyrazol-4-yl)carbonylamino]-4-(4-methyl-2-piperidin-1-yl-pyrimidin-5-yl)thiophene-3-carboxylic acid Openeye Name: 2-[(5-chloro-1-methyl-pyrazole-4-carbonyl)amino]-4-[4-methyl-2-(1-piperidyl)pyrimidin-5-yl]thiophene-3-carboxylic acid CAS Name: 2-[[(5-chloro-1-methyl-4-pyrazolyl)-oxomethyl]amino]-4-[4-methyl-2-(1-piperidinyl)-5-pyrimidinyl]-3-thiophenecarboxylic acid IUPAC Name: 2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid Traditional Name: 2-[(5-chloro-1-methyl-pyrazole-4-carbonyl)amino]-4-(4-methyl-2-piperidino-pyrimidin-5-yl)-3-thenoic acid Formula: C20H21ClN6O3S MolecularWeight: 460.93714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C2=CSC(=C2C(=O)O)NC(=O)C3=C(N(N=C3)C)Cl)N4CCCCC4

Isomeric SMILES

CC1=NC(=NC=C1C2=CSC(=C2C(=O)O)NC(=O)C3=C(N(N=C3)C)Cl)N4CCCCC4

InChI

InChI=1S/C20H21ClN6O3S/c1-11-12(8-22-20(24-11)27-6-4-3-5-7-27)14-10-31-18(15(14)19(29)30)25-17(28)13-9-23-26(2)16(13)21/h8-10H,3-7H2,1-2H3,(H,25,28)(H,29,30)