6-(4-methylpiperidin-1-yl)-5-nitro-N2-(phenylmethyl)pyrimidine-2,4-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O2/c1-12-7-9-22(10-8-12)16-14(23(24)25)15(18)20-17(21-16)19-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H3,18,19,20,21)