3-(2-bromanyl-4-propan-2-yl-phenyl)-7-heptan-3-yloxy-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidine

Systemtic Name: 3-(2-bromanyl-4-propan-2-yl-phenyl)-7-heptan-3-yloxy-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidine Openeye Name: 3-(2-bromo-4-isopropyl-phenyl)-7-(1-ethylpentoxy)-5-methyl-triazolo[4,5-d]pyrimidine CAS Name: 3-(2-bromo-4-propan-2-ylphenyl)-7-heptan-3-yloxy-5-methyltriazolo[4,5-d]pyrimidine IUPAC Name: 3-(2-bromo-4-propan-2-ylphenyl)-7-heptan-3-yloxy-5-methyltriazolo[4,5-d]pyrimidine Traditional Name: 3-(2-bromo-4-isopropyl-phenyl)-7-(1-ethylpentoxy)-5-methyl-triazolo[4,5-d]pyrimidine Formula: C21H28BrN5O MolecularWeight: 446.38392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)OC1=NC(=NC2=C1N=NN2C3=C(C=C(C=C3)C(C)C)Br)C

Isomeric SMILES

CCCCC(CC)OC1=NC(=NC2=C1N=NN2C3=C(C=C(C=C3)C(C)C)Br)C

InChI

InChI=1S/C21H28BrN5O/c1-6-8-9-16(7-2)28-21-19-20(23-14(5)24-21)27(26-25-19)18-11-10-15(13(3)4)12-17(18)22/h10-13,16H,6-9H2,1-5H3