N6-(2-bromanyl-4-methylsulfonyl-phenyl)-N4-butyl-N4-ethyl-2-methyl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(2-bromanyl-4-methylsulfonyl-phenyl)-N4-butyl-N4-ethyl-2-methyl-pyrimidine-4,5,6-triamine Openeye Name: N6-(2-bromo-4-methylsulfonyl-phenyl)-N4-butyl-N4-ethyl-2-methyl-pyrimidine-4,5,6-triamine CAS Name: N6-(2-bromo-4-methylsulfonylphenyl)-N4-butyl-N4-ethyl-2-methylpyrimidine-4,5,6-triamine IUPAC Name: 6-N-(2-bromo-4-methylsulfonylphenyl)-4-N-butyl-4-N-ethyl-2-methylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(2-bromo-4-mesyl-anilino)-2-methyl-pyrimidin-4-yl]-butyl-ethyl-amine Formula: C18H26BrN5O2S MolecularWeight: 456.40034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C1=NC(=NC(=C1N)NC2=C(C=C(C=C2)S(=O)(=O)C)Br)C

Isomeric SMILES

CCCCN(CC)C1=NC(=NC(=C1N)NC2=C(C=C(C=C2)S(=O)(=O)C)Br)C

InChI

InChI=1S/C18H26BrN5O2S/c1-5-7-10-24(6-2)18-16(20)17(21-12(3)22-18)23-15-9-8-13(11-14(15)19)27(4,25)26/h8-9,11H,5-7,10,20H2,1-4H3,(H,21,22,23)