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

Systemtic Name: N-(2-bromanyl-4-propan-2-yl-phenyl)-5-methyl-3-pentan-3-yl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: N-(2-bromo-4-isopropyl-phenyl)-3-(1-ethylpropyl)-5-methyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: N-(2-bromo-4-propan-2-ylphenyl)-5-methyl-3-pentan-3-yl-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: N-(2-bromo-4-propan-2-ylphenyl)-5-methyl-3-pentan-3-yltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: (2-bromo-4-isopropyl-phenyl)-[3-(1-ethylpropyl)-5-methyl-triazolo[4,5-d]pyrimidin-7-yl]amine Formula: C19H25BrN6 MolecularWeight: 417.346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN6/c1-6-14(7-2)26-19-17(24-25-26)18(21-12(5)22-19)23-16-9-8-13(11(3)4)10-15(16)20/h8-11,14H,6-7H2,1-5H3,(H,21,22,23)