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

Systemtic Name: ethyl 5-methyl-6-[3-methyl-4-[2-(2-methylpyrrolidin-1-yl)-6-piperidin-1-yl-pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-methyl-6-[3-methyl-4-[2-(2-methylpyrrolidin-1-yl)-6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-methyl-6-[3-methyl-4-[2-(2-methyl-1-pyrrolidinyl)-6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-6-[3-methyl-4-[2-(2-methylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-methyl-6-[3-methyl-4-[2-(2-methylpyrrolidino)-6-piperidino-pyrimidin-4-yl]piperazino]nicotinic acid ethyl ester Formula: C28H41N7O2 MolecularWeight: 507.67084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(C(C2)C)C3=NC(=NC(=C3)N4CCCCC4)N5CCCC5C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(C(C2)C)C3=NC(=NC(=C3)N4CCCCC4)N5CCCC5C)C

InChI

InChI=1S/C28H41N7O2/c1-5-37-27(36)23-16-20(2)26(29-18-23)33-14-15-34(22(4)19-33)25-17-24(32-11-7-6-8-12-32)30-28(31-25)35-13-9-10-21(35)3/h16-18,21-22H,5-15,19H2,1-4H3