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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCC(CC3)C(=O)OC

InChI

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