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

Systemtic Name: ethyl 5-methyl-6-[4-[2-(2-methylpyrrolidin-1-yl)-6-phenyl-pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-methyl-6-[4-[2-(2-methylpyrrolidin-1-yl)-6-phenyl-pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-methyl-6-[4-[2-(2-methyl-1-pyrrolidinyl)-6-phenyl-4-pyrimidinyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-6-[4-[2-(2-methylpyrrolidin-1-yl)-6-phenylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-methyl-6-[4-[2-(2-methylpyrrolidino)-6-phenyl-pyrimidin-4-yl]piperazino]nicotinic acid ethyl ester Formula: C28H34N6O2 MolecularWeight: 486.60856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C3=NC(=NC(=C3)C4=CC=CC=C4)N5CCCC5C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C3=NC(=NC(=C3)C4=CC=CC=C4)N5CCCC5C)C

InChI

InChI=1S/C28H34N6O2/c1-4-36-27(35)23-17-20(2)26(29-19-23)33-15-13-32(14-16-33)25-18-24(22-10-6-5-7-11-22)30-28(31-25)34-12-8-9-21(34)3/h5-7,10-11,17-19,21H,4,8-9,12-16H2,1-3H3