N2-(3,4-dimethylphenyl)-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(3,4-dimethylphenyl)-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(3,4-dimethylphenyl)-6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3,4-dimethylphenyl)-6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(3,4-dimethylphenyl)-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-2-yl]-(3,4-dimethylphenyl)amine Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N6O2/c1-11-7-12(2)10-24(9-11)18-16(25(26)27)17(20)22-19(23-18)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