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

Systemtic Name: N6-(2-bromanyl-4-propan-2-yl-phenyl)-N4-[1-(dimethylamino)pentan-2-yl]-2-methyl-pyrimidine-4,5,6-triamine Openeye Name: N6-(2-bromo-4-isopropyl-phenyl)-N4-[1-(dimethylaminomethyl)butyl]-2-methyl-pyrimidine-4,5,6-triamine CAS Name: N6-(2-bromo-4-propan-2-ylphenyl)-N4-[1-(dimethylamino)pentan-2-yl]-2-methylpyrimidine-4,5,6-triamine IUPAC Name: 6-N-(2-bromo-4-propan-2-ylphenyl)-4-N-[1-(dimethylamino)pentan-2-yl]-2-methylpyrimidine-4,5,6-triamine Traditional Name: 2-[[5-amino-6-(2-bromo-4-isopropyl-anilino)-2-methyl-pyrimidin-4-yl]amino]pentyl-dimethyl-amine Formula: C21H33BrN6 MolecularWeight: 449.43092

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN(C)C)NC1=NC(=NC(=C1N)NC2=C(C=C(C=C2)C(C)C)Br)C

Isomeric SMILES

CCCC(CN(C)C)NC1=NC(=NC(=C1N)NC2=C(C=C(C=C2)C(C)C)Br)C

InChI

InChI=1S/C21H33BrN6/c1-7-8-16(12-28(5)6)26-20-19(23)21(25-14(4)24-20)27-18-10-9-15(13(2)3)11-17(18)22/h9-11,13,16H,7-8,12,23H2,1-6H3,(H2,24,25,26,27)