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

Systemtic Name: ethyl 1-[5-azanyl-6-[ethyl-(3-methylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-amino-6-(N-ethyl-3-methyl-anilino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-amino-6-(N-ethyl-3-methylanilino)-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-amino-6-(N-ethyl-3-methyl-anilino)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C21H29N5O2/c1-4-26(17-8-6-7-15(3)13-17)20-18(22)19(23-14-24-20)25-11-9-16(10-12-25)21(27)28-5-2/h6-8,13-14,16H,4-5,9-12,22H2,1-3H3