ethyl 1-[5-azanyl-4-[(phenylmethyl)amino]pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-azanyl-4-[(phenylmethyl)amino]pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-amino-4-(benzylamino)pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-amino-4-[(phenylmethyl)amino]-2-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-amino-4-(benzylamino)pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-amino-4-(benzylamino)pyrimidin-2-yl]isonipecotic acid ethyl ester Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=C(C(=N2)NCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=C(C(=N2)NCC3=CC=CC=C3)N

InChI

InChI=1S/C19H25N5O2/c1-2-26-18(25)15-8-10-24(11-9-15)19-22-13-16(20)17(23-19)21-12-14-6-4-3-5-7-14/h3-7,13,15H,2,8-12,20H2,1H3,(H,21,22,23)