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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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