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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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