N6-(5-bromanylpyridin-2-yl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(5-bromanylpyridin-2-yl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(5-bromo-2-pyridyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(5-bromo-2-pyridinyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(5-bromopyridin-2-yl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(5-bromo-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C17H15BrN6O2 MolecularWeight: 415.244

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=NC=C(C=C3)Br

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=NC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN6O2/c1-23(10-12-5-3-2-4-6-12)17-15(24(25)26)16(20-11-21-17)22-14-8-7-13(18)9-19-14/h2-9,11H,10H2,1H3,(H,19,20,21,22)