N4-(2,3-dimethylphenyl)-6-(4-methylpiperidin-1-yl)-N2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3,5-triazine-2,4-diamine

Systemtic Name: N4-(2,3-dimethylphenyl)-6-(4-methylpiperidin-1-yl)-N2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3,5-triazine-2,4-diamine Openeye Name: N4-(2,3-dimethylphenyl)-6-(4-methyl-1-piperidyl)-N2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1,3,5-triazine-2,4-diamine CAS Name: N4-(2,3-dimethylphenyl)-6-(4-methyl-1-piperidinyl)-N2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3,5-triazine-2,4-diamine IUPAC Name: 4-N-(2,3-dimethylphenyl)-6-(4-methylpiperidin-1-yl)-2-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3,5-triazine-2,4-diamine Traditional Name: [4-(2,3-dimethylanilino)-6-(4-methylpiperidino)-s-triazin-2-yl]-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C25H28N8O4 MolecularWeight: 504.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)NC5=CC=CC(=C5C)C

Isomeric SMILES

CC1CCN(CC1)C2=NC(=NC(=N2)N/N=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)NC5=CC=CC(=C5C)C

InChI

InChI=1S/C25H28N8O4/c1-15-7-9-32(10-8-15)25-29-23(27-19-6-4-5-16(2)17(19)3)28-24(30-25)31-26-13-18-11-21-22(37-14-36-21)12-20(18)33(34)35/h4-6,11-13,15H,7-10,14H2,1-3H3,(H2,27,28,29,30,31)/b26-13+