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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=CC=C3)OC)N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=CC=C3)OC)N

InChI

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