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

Systemtic Name: methyl 1-[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-amino-6-(3,5-dimethylanilino)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)N3CCC(CC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)N3CCC(CC3)C(=O)OC)C

InChI

InChI=1S/C19H25N5O2/c1-12-8-13(2)10-15(9-12)23-17-16(20)18(22-11-21-17)24-6-4-14(5-7-24)19(25)26-3/h8-11,14H,4-7,20H2,1-3H3,(H,21,22,23)