N6-(2-bromanyl-4-propan-2-yl-phenyl)-N4-hexan-3-yl-2-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2-bromanyl-4-propan-2-yl-phenyl)-N4-hexan-3-yl-2-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-bromo-4-isopropyl-phenyl)-N4-(1-ethylbutyl)-2-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-bromo-4-propan-2-ylphenyl)-N4-hexan-3-yl-2-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-bromo-4-propan-2-ylphenyl)-4-N-hexan-3-yl-2-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-bromo-4-isopropyl-anilino)-2-methyl-5-nitro-pyrimidin-4-yl]-(1-ethylbutyl)amine Formula: C20H28BrN5O2 MolecularWeight: 450.37262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)NC1=NC(=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)C(C)C)Br)C

Isomeric SMILES

CCCC(CC)NC1=NC(=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)C(C)C)Br)C

InChI

InChI=1S/C20H28BrN5O2/c1-6-8-15(7-2)24-19-18(26(27)28)20(23-13(5)22-19)25-17-10-9-14(12(3)4)11-16(17)21/h9-12,15H,6-8H2,1-5H3,(H2,22,23,24,25)