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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-3-heptan-4-yl-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: N-(4-bromo-2-methyl-phenyl)-5-methyl-3-(1-propylbutyl)triazolo[4,5-d]pyrimidin-7-amine CAS Name: N-(4-bromo-2-methylphenyl)-3-heptan-4-yl-5-methyl-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: N-(4-bromo-2-methylphenyl)-3-heptan-4-yl-5-methyltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: (4-bromo-2-methyl-phenyl)-[5-methyl-3-(1-propylbutyl)triazolo[4,5-d]pyrimidin-7-yl]amine Formula: C19H25BrN6 MolecularWeight: 417.346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN6/c1-5-7-15(8-6-2)26-19-17(24-25-26)18(21-13(4)22-19)23-16-10-9-14(20)11-12(16)3/h9-11,15H,5-8H2,1-4H3,(H,21,22,23)