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

Systemtic Name: N2-(4-methoxyphenyl)-N4-(3-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(4-methoxyphenyl)-N4-(m-tolyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(4-methoxyphenyl)-N4-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(m-toluidino)-5-nitro-pyrimidin-2-yl]-(4-methoxyphenyl)amine Formula: C18H18N6O3 MolecularWeight: 366.37392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H18N6O3/c1-11-4-3-5-13(10-11)20-17-15(24(25)26)16(19)22-18(23-17)21-12-6-8-14(27-2)9-7-12/h3-10H,1-2H3,(H4,19,20,21,22,23)