2-[[3-(2-bromanyl-4-propan-2-yl-phenyl)-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]amino]butan-1-ol

Systemtic Name: 2-[[3-(2-bromanyl-4-propan-2-yl-phenyl)-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]amino]butan-1-ol Openeye Name: 2-[[3-(2-bromo-4-isopropyl-phenyl)-5-methyl-triazolo[4,5-d]pyrimidin-7-yl]amino]butan-1-ol CAS Name: 2-[[3-(2-bromo-4-propan-2-ylphenyl)-5-methyl-7-triazolo[4,5-d]pyrimidinyl]amino]-1-butanol IUPAC Name: 2-[[3-(2-bromo-4-propan-2-ylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-yl]amino]butan-1-ol Traditional Name: 2-[[3-(2-bromo-4-isopropyl-phenyl)-5-methyl-triazolo[4,5-d]pyrimidin-7-yl]amino]butan-1-ol Formula: C18H23BrN6O MolecularWeight: 419.31882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC(=NC2=C1N=NN2C3=C(C=C(C=C3)C(C)C)Br)C

Isomeric SMILES

CCC(CO)NC1=NC(=NC2=C1N=NN2C3=C(C=C(C=C3)C(C)C)Br)C

InChI

InChI=1S/C18H23BrN6O/c1-5-13(9-26)22-17-16-18(21-11(4)20-17)25(24-23-16)15-7-6-12(10(2)3)8-14(15)19/h6-8,10,13,26H,5,9H2,1-4H3,(H,20,21,22)