N2-(3,4-dimethylphenyl)-5-nitro-6-piperidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-(3,4-dimethylphenyl)-5-nitro-6-piperidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-(3,4-dimethylphenyl)-5-nitro-6-(1-piperidyl)pyrimidine-2,4-diamine CAS Name: N2-(3,4-dimethylphenyl)-5-nitro-6-(1-piperidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(3,4-dimethylphenyl)-5-nitro-6-piperidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-piperidino-pyrimidin-2-yl)-(3,4-dimethylphenyl)amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCC3)C

InChI

InChI=1S/C17H22N6O2/c1-11-6-7-13(10-12(11)2)19-17-20-15(18)14(23(24)25)16(21-17)22-8-4-3-5-9-22/h6-7,10H,3-5,8-9H2,1-2H3,(H3,18,19,20,21)