N2-(4-bromophenyl)-N4-(2-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-bromophenyl)-N4-(2-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-bromophenyl)-N4-(2-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-bromophenyl)-N4-(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-bromophenyl)-4-N-(2-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(4-bromoanilino)-6-methyl-5-nitro-pyrimidin-4-yl]-(2-methoxyphenyl)amine Formula: C18H16BrN5O3 MolecularWeight: 430.25534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)Br)NC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)Br)NC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrN5O3/c1-11-16(24(25)26)17(22-14-5-3-4-6-15(14)27-2)23-18(20-11)21-13-9-7-12(19)8-10-13/h3-10H,1-2H3,(H2,20,21,22,23)