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

Systemtic Name: 3-(2-bromanyl-4-propan-2-yl-phenyl)-5-methyl-N-nonan-5-yl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: 3-(2-bromo-4-isopropyl-phenyl)-N-(1-butylpentyl)-5-methyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: 3-(2-bromo-4-propan-2-ylphenyl)-5-methyl-N-nonan-5-yl-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: 3-(2-bromo-4-propan-2-ylphenyl)-5-methyl-N-nonan-5-yltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: [3-(2-bromo-4-isopropyl-phenyl)-5-methyl-triazolo[4,5-d]pyrimidin-7-yl]-(1-butylpentyl)amine Formula: C23H33BrN6 MolecularWeight: 473.45232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33BrN6/c1-6-8-10-18(11-9-7-2)27-22-21-23(26-16(5)25-22)30(29-28-21)20-13-12-17(15(3)4)14-19(20)24/h12-15,18H,6-11H2,1-5H3,(H,25,26,27)