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

Systemtic Name: ethyl 5-methyl-6-[4-[2-(2-methylpyrrolidin-1-yl)-6-(2-propan-2-ylpyridin-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[6-(2-isopropyl-4-pyridyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-methyl-pyridine-3-carboxylate CAS Name: 5-methyl-6-[4-[2-(2-methyl-1-pyrrolidinyl)-6-(2-propan-2-yl-4-pyridinyl)-4-pyrimidinyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-6-[4-[2-(2-methylpyrrolidin-1-yl)-6-(2-propan-2-ylpyridin-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[6-(2-isopropyl-4-pyridyl)-2-(2-methylpyrrolidino)pyrimidin-4-yl]piperazino]-5-methyl-nicotinic acid ethyl ester Formula: C30H39N7O2 MolecularWeight: 529.67636

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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(=NC=C4)C(C)C)N5CCCC5C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H39N7O2/c1-6-39-29(38)24-16-21(4)28(32-19-24)36-14-12-35(13-15-36)27-18-26(23-9-10-31-25(17-23)20(2)3)33-30(34-27)37-11-7-8-22(37)5/h9-10,16-20,22H,6-8,11-15H2,1-5H3