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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)NC1=NC(=NC2=C1N=NN2C3=C(C=C(C=C3)C(C)C)Br)C

Isomeric SMILES

CCCCC(CC)NC1=NC(=NC2=C1N=NN2C3=C(C=C(C=C3)C(C)C)Br)C

InChI

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