N4-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[(E)-(2,5-dimethoxyphenyl)methyleneamino]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-[(E)-(2,5-dimethoxybenzylidene)amino]amine Formula: C13H14N6O4 MolecularWeight: 318.28806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=NNC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=N/NC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C13H14N6O4/c1-22-9-3-4-10(23-2)8(5-9)6-17-18-13-11(19(20)21)12(14)15-7-16-13/h3-7H,1-2H3,(H3,14,15,16,18)/b17-6+