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

Systemtic Name: ethyl 4-(2-phenyl-6-pyridin-3-yl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-[2-phenyl-6-(3-pyridyl)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-phenyl-6-(3-pyridinyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-[2-phenyl-6-(3-pyridyl)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2/c1-2-29-22(28)27-13-11-26(12-14-27)20-15-19(18-9-6-10-23-16-18)24-21(25-20)17-7-4-3-5-8-17/h3-10,15-16H,2,11-14H2,1H3