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

Systemtic Name: 5-methyl-6-[4-[2-(2-methylpyrrolidin-1-yl)-6-phenyl-pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-methyl-6-[4-[2-(2-methylpyrrolidin-1-yl)-6-phenyl-pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-methyl-6-[4-[2-(2-methyl-1-pyrrolidinyl)-6-phenyl-4-pyrimidinyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-methyl-6-[4-[2-(2-methylpyrrolidin-1-yl)-6-phenylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-methyl-6-[4-[2-(2-methylpyrrolidino)-6-phenyl-pyrimidin-4-yl]piperazino]nicotinic acid Formula: C26H30N6O2 MolecularWeight: 458.5554

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O2/c1-18-15-21(25(33)34)17-27-24(18)31-13-11-30(12-14-31)23-16-22(20-8-4-3-5-9-20)28-26(29-23)32-10-6-7-19(32)2/h3-5,8-9,15-17,19H,6-7,10-14H2,1-2H3,(H,33,34)