N-(2-bromanyl-4-propan-2-yl-phenyl)-3-heptan-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-heptan-3-yl-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: N-(2-bromo-4-isopropyl-phenyl)-3-(1-ethylpentyl)-5-methyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: N-(2-bromo-4-propan-2-ylphenyl)-3-heptan-3-yl-5-methyl-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: N-(2-bromo-4-propan-2-ylphenyl)-3-heptan-3-yl-5-methyltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: (2-bromo-4-isopropyl-phenyl)-[3-(1-ethylpentyl)-5-methyl-triazolo[4,5-d]pyrimidin-7-yl]amine Formula: C21H29BrN6 MolecularWeight: 445.39916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29BrN6/c1-6-8-9-16(7-2)28-21-19(26-27-28)20(23-14(5)24-21)25-18-11-10-15(13(3)4)12-17(18)22/h10-13,16H,6-9H2,1-5H3,(H,23,24,25)