N6-(2-bromanyl-4-propan-2-yl-phenyl)-N4-[1-(dimethylamino)pentan-2-yl]-2-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2-bromanyl-4-propan-2-yl-phenyl)-N4-[1-(dimethylamino)pentan-2-yl]-2-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-bromo-4-isopropyl-phenyl)-N4-[1-(dimethylaminomethyl)butyl]-2-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-bromo-4-propan-2-ylphenyl)-N4-[1-(dimethylamino)pentan-2-yl]-2-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-bromo-4-propan-2-ylphenyl)-4-N-[1-(dimethylamino)pentan-2-yl]-2-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: 2-[[6-(2-bromo-4-isopropyl-anilino)-2-methyl-5-nitro-pyrimidin-4-yl]amino]pentyl-dimethyl-amine Formula: C21H31BrN6O2 MolecularWeight: 479.41384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31BrN6O2/c1-7-8-16(12-27(5)6)25-20-19(28(29)30)21(24-14(4)23-20)26-18-10-9-15(13(2)3)11-17(18)22/h9-11,13,16H,7-8,12H2,1-6H3,(H2,23,24,25,26)