tert-butyl 4-[[[6-[(4-butanoylphenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[6-[(4-butanoylphenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-(4-butanoylanilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[methyl-[6-[4-(1-oxobutyl)anilino]-4-pyrimidinyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[6-(4-butanoylanilino)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-(4-butyrylanilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H37N5O3 MolecularWeight: 467.60368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)NC2=CC(=NC=N2)N(C)CC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)NC2=CC(=NC=N2)N(C)CC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H37N5O3/c1-6-7-22(32)20-8-10-21(11-9-20)29-23-16-24(28-18-27-23)30(5)17-19-12-14-31(15-13-19)25(33)34-26(2,3)4/h8-11,16,18-19H,6-7,12-15,17H2,1-5H3,(H,27,28,29)