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

Systemtic Name: N4-(4-methylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-[(3R)-3-methyl-1-piperidyl]-5-nitro-N4-(p-tolyl)pyrimidine-4,6-diamine CAS Name: N4-(4-methylphenyl)-2-[(3R)-3-methyl-1-piperidinyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3R)-3-methylpiperidino]-5-nitro-pyrimidin-4-yl]-(p-tolyl)amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC(=C(C(=N2)NC3=CC=C(C=C3)C)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2/c1-11-5-7-13(8-6-11)19-16-14(23(24)25)15(18)20-17(21-16)22-9-3-4-12(2)10-22/h5-8,12H,3-4,9-10H2,1-2H3,(H3,18,19,20,21)/t12-/m1/s1