N2-methyl-6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-N2-phenyl-pyrimidine-2,4-diamine

Systemtic Name: N2-methyl-6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-N2-phenyl-pyrimidine-2,4-diamine Openeye Name: N2-methyl-6-[(3S)-3-methyl-1-piperidyl]-5-nitro-N2-phenyl-pyrimidine-2,4-diamine CAS Name: N2-methyl-6-[(3S)-3-methyl-1-piperidinyl]-5-nitro-N2-phenylpyrimidine-2,4-diamine IUPAC Name: 2-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-2-N-phenylpyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-2-yl]-methyl-phenyl-amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2/c1-12-7-6-10-22(11-12)16-14(23(24)25)15(18)19-17(20-16)21(2)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H2,18,19,20)/t12-/m0/s1