N4-(2,4-dimethoxyphenyl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(2,4-dimethoxyphenyl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,4-dimethoxyphenyl)-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-(2,4-dimethoxyphenyl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C15H17N5O4 MolecularWeight: 331.32658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NCC=C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NCC=C)[N+](=O)[O-])OC

InChI

InChI=1S/C15H17N5O4/c1-4-7-16-14-13(20(21)22)15(18-9-17-14)19-11-6-5-10(23-2)8-12(11)24-3/h4-6,8-9H,1,7H2,2-3H3,(H2,16,17,18,19)