N4-(4-chlorophenyl)-N2-(3-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(4-chlorophenyl)-N2-(3-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(4-chlorophenyl)-N2-(3-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(4-chlorophenyl)-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-chlorophenyl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(4-chloroanilino)-5-nitro-pyrimidin-2-yl]-(3-methoxyphenyl)amine Formula: C17H15ClN6O3 MolecularWeight: 386.7924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)NC3=CC=C(C=C3)Cl)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)NC3=CC=C(C=C3)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C17H15ClN6O3/c1-27-13-4-2-3-12(9-13)21-17-22-15(19)14(24(25)26)16(23-17)20-11-7-5-10(18)6-8-11/h2-9H,1H3,(H4,19,20,21,22,23)