1-[3-bromanyl-4-[7-[butyl(ethyl)amino]-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]phenyl]ethanone

Systemtic Name: 1-[3-bromanyl-4-[7-[butyl(ethyl)amino]-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]phenyl]ethanone Openeye Name: 1-[3-bromo-4-[7-[butyl(ethyl)amino]-5-methyl-triazolo[4,5-d]pyrimidin-3-yl]phenyl]ethanone CAS Name: 1-[3-bromo-4-[7-[butyl(ethyl)amino]-5-methyl-3-triazolo[4,5-d]pyrimidinyl]phenyl]ethanone IUPAC Name: 1-[3-bromo-4-[7-[butyl(ethyl)amino]-5-methyltriazolo[4,5-d]pyrimidin-3-yl]phenyl]ethanone Traditional Name: 1-[3-bromo-4-[7-[butyl(ethyl)amino]-5-methyl-triazolo[4,5-d]pyrimidin-3-yl]phenyl]ethanone Formula: C19H23BrN6O MolecularWeight: 431.32952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C1=NC(=NC2=C1N=NN2C3=C(C=C(C=C3)C(=O)C)Br)C

Isomeric SMILES

CCCCN(CC)C1=NC(=NC2=C1N=NN2C3=C(C=C(C=C3)C(=O)C)Br)C

InChI

InChI=1S/C19H23BrN6O/c1-5-7-10-25(6-2)18-17-19(22-13(4)21-18)26(24-23-17)16-9-8-14(12(3)27)11-15(16)20/h8-9,11H,5-7,10H2,1-4H3