N6-(2-bromophenyl)-N4-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2-bromophenyl)-N4-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-bromophenyl)-N4-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-bromophenyl)-N4-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-bromophenyl)-4-N-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-bromoanilino)-5-nitro-pyrimidin-4-yl]-(2,4-dimethoxyphenyl)amine Formula: C18H16BrN5O4 MolecularWeight: 446.25474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3Br)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3Br)[N+](=O)[O-])OC

InChI

InChI=1S/C18H16BrN5O4/c1-27-11-7-8-14(15(9-11)28-2)23-18-16(24(25)26)17(20-10-21-18)22-13-6-4-3-5-12(13)19/h3-10H,1-2H3,(H2,20,21,22,23)