3-(2-bromanyl-4-methylsulfanyl-phenyl)-N-butyl-N-ethyl-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

Systemtic Name: 3-(2-bromanyl-4-methylsulfanyl-phenyl)-N-butyl-N-ethyl-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: 3-(2-bromo-4-methylsulfanyl-phenyl)-N-butyl-N-ethyl-5-methyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: 3-[2-bromo-4-(methylthio)phenyl]-N-butyl-N-ethyl-5-methyl-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: 3-(2-bromo-4-methylsulfanylphenyl)-N-butyl-N-ethyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: [3-[2-bromo-4-(methylthio)phenyl]-5-methyl-triazolo[4,5-d]pyrimidin-7-yl]-butyl-ethyl-amine Formula: C18H23BrN6S MolecularWeight: 435.38442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN6S/c1-5-7-10-24(6-2)17-16-18(21-12(3)20-17)25(23-22-16)15-9-8-13(26-4)11-14(15)19/h8-9,11H,5-7,10H2,1-4H3