4-(4-methyl-2-piperidin-1-yl-pyrimidin-5-yl)-2-(pyrimidin-5-ylcarbonylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-(4-methyl-2-piperidin-1-yl-pyrimidin-5-yl)-2-(pyrimidin-5-ylcarbonylamino)thiophene-3-carboxylic acid Openeye Name: 4-[4-methyl-2-(1-piperidyl)pyrimidin-5-yl]-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid CAS Name: 4-[4-methyl-2-(1-piperidinyl)-5-pyrimidinyl]-2-[[oxo(5-pyrimidinyl)methyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid Traditional Name: 4-(4-methyl-2-piperidino-pyrimidin-5-yl)-2-(pyrimidine-5-carbonylamino)-3-thenoic acid Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C2=CSC(=C2C(=O)O)NC(=O)C3=CN=CN=C3)N4CCCCC4

Isomeric SMILES

CC1=NC(=NC=C1C2=CSC(=C2C(=O)O)NC(=O)C3=CN=CN=C3)N4CCCCC4

InChI

InChI=1S/C20H20N6O3S/c1-12-14(9-23-20(24-12)26-5-3-2-4-6-26)15-10-30-18(16(15)19(28)29)25-17(27)13-7-21-11-22-8-13/h7-11H,2-6H2,1H3,(H,25,27)(H,28,29)