tert-butyl 4-[[[6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-(1,3-benzodioxol-5-ylmethylamino)-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[methyl-[6-(piperonylamino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H33N5O4 MolecularWeight: 455.54992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H33N5O4/c1-24(2,3)33-23(30)29-9-7-17(8-10-29)14-28(4)22-12-21(26-15-27-22)25-13-18-5-6-19-20(11-18)32-16-31-19/h5-6,11-12,15,17H,7-10,13-14,16H2,1-4H3,(H,25,26,27)