N4-(2,5-dimethoxyphenyl)-5-nitro-N2-prop-2-enyl-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-5-nitro-N2-prop-2-enyl-pyrimidine-2,4,6-triamine Openeye Name: N2-allyl-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2,5-dimethoxyphenyl)-5-nitro-N2-prop-2-enylpyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-5-nitro-2-N-prop-2-enylpyrimidine-2,4,6-triamine Traditional Name: allyl-[4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-2-yl]amine Formula: C15H18N6O4 MolecularWeight: 346.34122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O4/c1-4-7-17-15-19-13(16)12(21(22)23)14(20-15)18-10-8-9(24-2)5-6-11(10)25-3/h4-6,8H,1,7H2,2-3H3,(H4,16,17,18,19,20)