ethyl 1-(2-azanyl-6-methyl-pyrimidin-4-yl)carbonyl-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-azanyl-6-methyl-pyrimidin-4-yl)carbonyl-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(2-amino-6-methyl-pyrimidine-4-carbonyl)-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(2-amino-6-methyl-4-pyrimidinyl)-oxomethyl]-4-[(4-chlorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-amino-6-methylpyrimidine-4-carbonyl)-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-(2-amino-6-methyl-pyrimidine-4-carbonyl)-4-(4-chlorobenzyl)isonipecotic acid ethyl ester Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=NC(=N2)N)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=NC(=N2)N)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4O3/c1-3-29-19(28)21(13-15-4-6-16(22)7-5-15)8-10-26(11-9-21)18(27)17-12-14(2)24-20(23)25-17/h4-7,12H,3,8-11,13H2,1-2H3,(H2,23,24,25)