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

Systemtic Name: tert-butyl 4-[[(6-azanylpyrimidin-4-yl)-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(6-aminopyrimidin-4-yl)-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[(6-amino-4-pyrimidinyl)-methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(6-aminopyrimidin-4-yl)-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(6-aminopyrimidin-4-yl)-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C16H27N5O2 MolecularWeight: 321.41788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)N

InChI

InChI=1S/C16H27N5O2/c1-16(2,3)23-15(22)21-7-5-12(6-8-21)10-20(4)14-9-13(17)18-11-19-14/h9,11-12H,5-8,10H2,1-4H3,(H2,17,18,19)