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

Systemtic Name: N4-(5-bromanylpyridin-2-yl)-N6-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-bromo-2-pyridyl)-N6-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-bromo-2-pyridinyl)-N6-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-bromopyridin-2-yl)-6-N-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (5-bromo-2-pyridyl)-[6-(m-anisidino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H13BrN6O3 MolecularWeight: 417.21682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN6O3/c1-26-12-4-2-3-11(7-12)21-15-14(23(24)25)16(20-9-19-15)22-13-6-5-10(17)8-18-13/h2-9H,1H3,(H2,18,19,20,21,22)