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

Systemtic Name: tert-butyl 4-[[[6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-(1,3-benzodioxol-5-ylamino)-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H31N5O4 MolecularWeight: 441.52334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H31N5O4/c1-23(2,3)32-22(29)28-9-7-16(8-10-28)13-27(4)21-12-20(24-14-25-21)26-17-5-6-18-19(11-17)31-15-30-18/h5-6,11-12,14,16H,7-10,13,15H2,1-4H3,(H,24,25,26)