N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine CAS Name: N4-methyl-N4-(1-methyl-4-piperidinyl)-5-nitro-N6-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-methyl-(1-methyl-4-piperidyl)amine Formula: C17H22N6O2 MolecularWeight: 342.39558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C17H22N6O2/c1-21-10-8-14(9-11-21)22(2)17-15(23(24)25)16(18-12-19-17)20-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,19,20)