3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-(4-pyrazolo[1,5-a]pyrimidin-5-ylphenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-(4-pyrazolo[1,5-a]pyrimidin-5-ylphenyl)thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-pyrazolo[1,5-a]pyrimidin-5-ylphenyl)thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-[4-(5-pyrazolo[1,5-a]pyrimidinyl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-(4-pyrazolo[1,5-a]pyrimidin-5-ylphenyl)thiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-pyrazolo[1,5-a]pyrimidin-5-ylphenyl)-2-thenoic acid Formula: C28H30N4O3S MolecularWeight: 502.6278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=NC5=CC=NN5C=C4)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=NC5=CC=NN5C=C4)C(=O)O)C(C)C

InChI

InChI=1S/C28H30N4O3S/c1-17(2)32(27(33)21-6-4-18(3)5-7-21)23-16-24(36-26(23)28(34)35)20-10-8-19(9-11-20)22-13-15-31-25(30-22)12-14-29-31/h8-18,21H,4-7H2,1-3H3,(H,34,35)