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

Systemtic Name: N4-(3-methylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-[(3R)-3-methyl-1-piperidyl]-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-methylphenyl)-2-[(3R)-3-methyl-1-piperidinyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-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]-(m-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=CC(=C3)C)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2/c1-11-5-3-7-13(9-11)19-16-14(23(24)25)15(18)20-17(21-16)22-8-4-6-12(2)10-22/h3,5,7,9,12H,4,6,8,10H2,1-2H3,(H3,18,19,20,21)/t12-/m1/s1