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

Systemtic Name: ethyl 5-methyl-6-[(3R)-3-methyl-4-[2-(2-methylpyrrolidin-1-yl)-6-pyridin-4-yl-pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-methyl-6-[(3R)-3-methyl-4-[2-(2-methylpyrrolidin-1-yl)-6-(4-pyridyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-methyl-6-[(3R)-3-methyl-4-[2-(2-methyl-1-pyrrolidinyl)-6-pyridin-4-yl-4-pyrimidinyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-6-[(3R)-3-methyl-4-[2-(2-methylpyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-methyl-6-[(3R)-3-methyl-4-[2-(2-methylpyrrolidino)-6-(4-pyridyl)pyrimidin-4-yl]piperazino]nicotinic acid ethyl ester Formula: C28H35N7O2 MolecularWeight: 501.6232

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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)C4=CC=NC=C4)N5CCCC5C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN([C@@H](C2)C)C3=NC(=NC(=C3)C4=CC=NC=C4)N5CCCC5C)C

InChI

InChI=1S/C28H35N7O2/c1-5-37-27(36)23-15-19(2)26(30-17-23)33-13-14-34(21(4)18-33)25-16-24(22-8-10-29-11-9-22)31-28(32-25)35-12-6-7-20(35)3/h8-11,15-17,20-21H,5-7,12-14,18H2,1-4H3/t20?,21-/m1/s1