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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC=C(C=C3)Cl

InChI

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