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

Systemtic Name: 5-methyl-6-[3-methyl-4-[2-(2-methylpyrrolidin-1-yl)-6-piperidin-1-yl-pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-methyl-6-[3-methyl-4-[2-(2-methylpyrrolidin-1-yl)-6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-methyl-6-[3-methyl-4-[2-(2-methyl-1-pyrrolidinyl)-6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-methyl-6-[3-methyl-4-[2-(2-methylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-methyl-6-[3-methyl-4-[2-(2-methylpyrrolidino)-6-piperidino-pyrimidin-4-yl]piperazino]nicotinic acid Formula: C26H37N7O2 MolecularWeight: 479.61768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1C2=NC(=CC(=N2)N3CCN(CC3C)C4=C(C=C(C=N4)C(=O)O)C)N5CCCCC5

Isomeric SMILES

CC1CCCN1C2=NC(=CC(=N2)N3CCN(CC3C)C4=C(C=C(C=N4)C(=O)O)C)N5CCCCC5

InChI

InChI=1S/C26H37N7O2/c1-18-14-21(25(34)35)16-27-24(18)31-12-13-32(20(3)17-31)23-15-22(30-9-5-4-6-10-30)28-26(29-23)33-11-7-8-19(33)2/h14-16,19-20H,4-13,17H2,1-3H3,(H,34,35)