2-(4-methylpiperidin-1-yl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 2-(4-methylpiperidin-1-yl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-2-(4-methyl-1-piperidyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-methylpiperidino)-5-nitro-pyrimidin-4-yl]-benzyl-amine Formula: C17H22N6O2 MolecularWeight: 342.39558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CC1CCN(CC1)C2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H22N6O2/c1-12-7-9-22(10-8-12)17-20-15(18)14(23(24)25)16(21-17)19-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H3,18,19,20,21)