N4-(3,4-dimethylphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3,4-dimethylphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3,4-dimethylphenyl)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,4-dimethylphenyl)-2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-4-yl]-(3,4-dimethylphenyl)amine Formula: C19H26N6O2 MolecularWeight: 370.44874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC(=C(C(=N2)NC3=CC(=C(C=C3)C)C)[N+](=O)[O-])N)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=NC(=C(C(=N2)NC3=CC(=C(C=C3)C)C)[N+](=O)[O-])N)C

InChI

InChI=1S/C19H26N6O2/c1-11-7-12(2)10-24(9-11)19-22-17(20)16(25(26)27)18(23-19)21-15-6-5-13(3)14(4)8-15/h5-6,8,11-12H,7,9-10H2,1-4H3,(H3,20,21,22,23)/t11-,12-/m1/s1