N4-(5-bromanylpyridin-2-yl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-bromanylpyridin-2-yl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-bromo-2-pyridyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-bromo-2-pyridinyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-bromopyridin-2-yl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (5-bromo-2-pyridyl)-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H19BrN6O4 MolecularWeight: 475.29596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC=C(C=C3)Br)OC

InChI

InChI=1S/C19H19BrN6O4/c1-29-14-5-3-12(9-15(14)30-2)7-8-21-18-17(26(27)28)19(24-11-23-18)25-16-6-4-13(20)10-22-16/h3-6,9-11H,7-8H2,1-2H3,(H2,21,22,23,24,25)