N6-(2-bromanyl-4-methylsulfanyl-phenyl)-N4-butyl-N4-ethyl-2-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2-bromanyl-4-methylsulfanyl-phenyl)-N4-butyl-N4-ethyl-2-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-bromo-4-methylsulfanyl-phenyl)-N4-butyl-N4-ethyl-2-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-bromo-4-(methylthio)phenyl]-N4-butyl-N4-ethyl-2-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-bromo-4-methylsulfanylphenyl)-4-N-butyl-4-N-ethyl-2-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[2-bromo-4-(methylthio)anilino]-2-methyl-5-nitro-pyrimidin-4-yl]-butyl-ethyl-amine Formula: C18H24BrN5O2S MolecularWeight: 454.38446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C1=NC(=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)SC)Br)C

Isomeric SMILES

CCCCN(CC)C1=NC(=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)SC)Br)C

InChI

InChI=1S/C18H24BrN5O2S/c1-5-7-10-23(6-2)18-16(24(25)26)17(20-12(3)21-18)22-15-9-8-13(27-4)11-14(15)19/h8-9,11H,5-7,10H2,1-4H3,(H,20,21,22)