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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC(=N2)C)N(CC)C3=C(C=C(C=C3)C(C)C)Br)N=N1

Isomeric SMILES

CCCCN1C2=C(C(=NC(=N2)C)N(CC)C3=C(C=C(C=C3)C(C)C)Br)N=N1

InChI

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