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

Systemtic Name: ethyl 4-(2-pyridin-3-yl-6-pyridin-4-yl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-pyridyl)-6-(4-pyridyl)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-(3-pyridinyl)-6-pyridin-4-yl-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-pyridin-3-yl-6-pyridin-4-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-[2-(3-pyridyl)-6-(4-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=NC=C3)C4=CN=CC=C4

Isomeric SMILES

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

InChI

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