ethyl 1-[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-amino-6-(3,5-dimethylanilino)-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=CC(=CC(=C3)C)C)N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=CC(=CC(=C3)C)C)N

InChI

InChI=1S/C20H27N5O2/c1-4-27-20(26)15-6-5-7-25(11-15)19-17(21)18(22-12-23-19)24-16-9-13(2)8-14(3)10-16/h8-10,12,15H,4-7,11,21H2,1-3H3,(H,22,23,24)