N4-(3,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-(3,4-dimethoxyphenyl)amine Formula: C12H13N5O4 MolecularWeight: 291.26272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O4/c1-20-8-4-3-7(5-9(8)21-2)16-12-10(17(18)19)11(13)14-6-15-12/h3-6H,1-2H3,(H3,13,14,15,16)