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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)N1C2=C(C(=NC(=N2)C)NC3=C(C=C(C=C3)C(C)C)Br)N=N1

Isomeric SMILES

CCCC(CC)N1C2=C(C(=NC(=N2)C)NC3=C(C=C(C=C3)C(C)C)Br)N=N1

InChI

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