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

Systemtic Name: N2-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(4-methyl-1-piperidyl)-5-nitro-N2-(p-tolylmethyl)pyrimidine-2,4-diamine CAS Name: N2-[(4-methylphenyl)methyl]-6-(4-methyl-1-piperidinyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperidino)-5-nitro-pyrimidin-2-yl]-(4-methylbenzyl)amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O2/c1-12-3-5-14(6-4-12)11-20-18-21-16(19)15(24(25)26)17(22-18)23-9-7-13(2)8-10-23/h3-6,13H,7-11H2,1-2H3,(H3,19,20,21,22)