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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

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