ethyl 4-(6-pyridin-2-yl-2-pyridin-3-yl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(6-pyridin-2-yl-2-pyridin-3-yl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(2-pyridyl)-2-(3-pyridyl)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(2-pyridinyl)-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-[6-(2-pyridyl)-2-(3-pyridyl)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=N3)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=N3)C4=CN=CC=C4

InChI

InChI=1S/C21H22N6O2/c1-2-29-21(28)27-12-10-26(11-13-27)19-14-18(17-7-3-4-9-23-17)24-20(25-19)16-6-5-8-22-15-16/h3-9,14-15H,2,10-13H2,1H3