N6-(3-bromophenyl)-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-bromophenyl)-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-bromophenyl)-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-bromophenyl)-N4-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-(2-methoxyphenyl)amine Formula: C17H14BrN5O3 MolecularWeight: 416.22876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN5O3/c1-26-14-8-3-2-7-13(14)22-17-15(23(24)25)16(19-10-20-17)21-12-6-4-5-11(18)9-12/h2-10H,1H3,(H2,19,20,21,22)