ethyl 4-[2-cyanoethyl(2-diethylaminoethyl)amino]-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-cyanoethyl(2-diethylaminoethyl)amino]-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-cyanoethyl(2-diethylaminoethyl)amino]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[2-cyanoethyl(2-diethylaminoethyl)amino]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-cyanoethyl(2-diethylaminoethyl)amino]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[2-cyanoethyl(2-diethylaminoethyl)amino]-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CCC#N)C1=NC(=NC=C1C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)CCN(CCC#N)C1=NC(=NC=C1C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C22H29N5O2/c1-4-26(5-2)15-16-27(14-10-13-23)21-19(22(28)29-6-3)17-24-20(25-21)18-11-8-7-9-12-18/h7-9,11-12,17H,4-6,10,14-16H2,1-3H3