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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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