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

Systemtic Name: N4-(4-methoxyphenyl)-5-nitro-N2-prop-2-enyl-pyrimidine-2,4,6-triamine Openeye Name: N2-allyl-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(4-methoxyphenyl)-5-nitro-N2-prop-2-enylpyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-methoxyphenyl)-5-nitro-2-N-prop-2-enylpyrimidine-2,4,6-triamine Traditional Name: allyl-[4-amino-5-nitro-6-(p-anisidino)pyrimidin-2-yl]amine Formula: C14H16N6O3 MolecularWeight: 316.31524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N6O3/c1-3-8-16-14-18-12(15)11(20(21)22)13(19-14)17-9-4-6-10(23-2)7-5-9/h3-7H,1,8H2,2H3,(H4,15,16,17,18,19)