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

Systemtic Name: ethyl 1-[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-amino-6-[methyl-(phenylmethyl)amino]-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-amino-6-[benzyl(methyl)amino]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)N(C)CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)N

InChI

InChI=1S/C20H27N5O2/c1-3-27-20(26)16-10-7-11-25(13-16)19-17(21)18(22-14-23-19)24(2)12-15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-13,21H2,1-2H3