7-(2-bromanyl-6-methoxy-4-propan-2-yl-phenoxy)-3-heptan-4-yl-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidine

Systemtic Name: 7-(2-bromanyl-6-methoxy-4-propan-2-yl-phenoxy)-3-heptan-4-yl-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidine Openeye Name: 7-(2-bromo-4-isopropyl-6-methoxy-phenoxy)-5-methyl-3-(1-propylbutyl)triazolo[4,5-d]pyrimidine CAS Name: 7-(2-bromo-6-methoxy-4-propan-2-ylphenoxy)-3-heptan-4-yl-5-methyltriazolo[4,5-d]pyrimidine IUPAC Name: 7-(2-bromo-6-methoxy-4-propan-2-ylphenoxy)-3-heptan-4-yl-5-methyltriazolo[4,5-d]pyrimidine Traditional Name: 7-(2-bromo-4-isopropyl-6-methoxy-phenoxy)-5-methyl-3-(1-propylbutyl)triazolo[4,5-d]pyrimidine Formula: C22H30BrN5O2 MolecularWeight: 476.4099

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C2=C(C(=NC(=N2)C)OC3=C(C=C(C=C3Br)C(C)C)OC)N=N1

Isomeric SMILES

CCCC(CCC)N1C2=C(C(=NC(=N2)C)OC3=C(C=C(C=C3Br)C(C)C)OC)N=N1

InChI

InChI=1S/C22H30BrN5O2/c1-7-9-16(10-8-2)28-21-19(26-27-28)22(25-14(5)24-21)30-20-17(23)11-15(13(3)4)12-18(20)29-6/h11-13,16H,7-10H2,1-6H3