3-(2-bromanyl-4-propan-2-yl-phenyl)-N-hexan-3-yl-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

Systemtic Name: 3-(2-bromanyl-4-propan-2-yl-phenyl)-N-hexan-3-yl-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: 3-(2-bromo-4-isopropyl-phenyl)-N-(1-ethylbutyl)-5-methyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: 3-(2-bromo-4-propan-2-ylphenyl)-N-hexan-3-yl-5-methyl-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: 3-(2-bromo-4-propan-2-ylphenyl)-N-hexan-3-yl-5-methyltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: [3-(2-bromo-4-isopropyl-phenyl)-5-methyl-triazolo[4,5-d]pyrimidin-7-yl]-(1-ethylbutyl)amine Formula: C20H27BrN6 MolecularWeight: 431.37258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)NC1=NC(=NC2=C1N=NN2C3=C(C=C(C=C3)C(C)C)Br)C

Isomeric SMILES

CCCC(CC)NC1=NC(=NC2=C1N=NN2C3=C(C=C(C=C3)C(C)C)Br)C

InChI

InChI=1S/C20H27BrN6/c1-6-8-15(7-2)24-19-18-20(23-13(5)22-19)27(26-25-18)17-10-9-14(12(3)4)11-16(17)21/h9-12,15H,6-8H2,1-5H3,(H,22,23,24)