ethyl 4-(1-phenylpropylamino)-2-pyridin-3-yl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1-phenylpropylamino)-2-pyridin-3-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1-phenylpropylamino)-2-(3-pyridyl)pyrimidine-5-carboxylate CAS Name: 4-(1-phenylpropylamino)-2-(3-pyridinyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-phenylpropylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate Traditional Name: 4-(1-phenylpropylamino)-2-(3-pyridyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC2=NC(=NC=C2C(=O)OCC)C3=CN=CC=C3

Isomeric SMILES

CCC(C1=CC=CC=C1)NC2=NC(=NC=C2C(=O)OCC)C3=CN=CC=C3

InChI

InChI=1S/C21H22N4O2/c1-3-18(15-9-6-5-7-10-15)24-20-17(21(26)27-4-2)14-23-19(25-20)16-11-8-12-22-13-16/h5-14,18H,3-4H2,1-2H3,(H,23,24,25)