5-methyl-6-[4-[6-(3-methylphenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-methyl-6-[4-[6-(3-methylphenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-methyl-6-[4-[2-(2-methylpyrrolidin-1-yl)-6-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-methyl-6-[4-[6-(3-methylphenyl)-2-(2-methyl-1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-methyl-6-[4-[6-(3-methylphenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-methyl-6-[4-[2-(2-methylpyrrolidino)-6-(m-tolyl)pyrimidin-4-yl]piperazino]nicotinic acid Formula: C27H32N6O2 MolecularWeight: 472.58198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1C2=NC(=CC(=N2)N3CCN(CC3)C4=C(C=C(C=N4)C(=O)O)C)C5=CC(=CC=C5)C

Isomeric SMILES

CC1CCCN1C2=NC(=CC(=N2)N3CCN(CC3)C4=C(C=C(C=N4)C(=O)O)C)C5=CC(=CC=C5)C

InChI

InChI=1S/C27H32N6O2/c1-18-6-4-8-21(14-18)23-16-24(30-27(29-23)33-9-5-7-20(33)3)31-10-12-32(13-11-31)25-19(2)15-22(17-28-25)26(34)35/h4,6,8,14-17,20H,5,7,9-13H2,1-3H3,(H,34,35)