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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC(=CC=C3)Cl

InChI

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