N4-(3,4-dimethylphenyl)-5-nitro-2-piperidin-1-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-(3,4-dimethylphenyl)-5-nitro-2-piperidin-1-yl-pyrimidine-4,6-diamine Openeye Name: N4-(3,4-dimethylphenyl)-5-nitro-2-(1-piperidyl)pyrimidine-4,6-diamine CAS Name: N4-(3,4-dimethylphenyl)-5-nitro-2-(1-piperidinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-5-nitro-2-piperidin-1-ylpyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-2-piperidino-pyrimidin-4-yl)-(3,4-dimethylphenyl)amine Formula: C17H22N6O2 MolecularWeight: 342.39558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCCCC3)C

InChI

InChI=1S/C17H22N6O2/c1-11-6-7-13(10-12(11)2)19-16-14(23(24)25)15(18)20-17(21-16)22-8-4-3-5-9-22/h6-7,10H,3-5,8-9H2,1-2H3,(H3,18,19,20,21)