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

Systemtic Name: methyl 1-[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-amino-6-[methyl-(phenylmethyl)amino]-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)N3CCC(CC3)C(=O)OC

InChI

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