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

Systemtic Name: ethyl 1-[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-amino-6-(3-methoxyanilino)-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-amino-6-(m-anisidino)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O3/c1-3-27-19(25)13-6-5-9-24(11-13)18-16(20)17(21-12-22-18)23-14-7-4-8-15(10-14)26-2/h4,7-8,10,12-13H,3,5-6,9,11,20H2,1-2H3,(H,21,22,23)