N-butan-2-yl-3-[(4-fluorophenyl)methyl]-7-oxidanylidene-2H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide

Systemtic Name: N-butan-2-yl-3-[(4-fluorophenyl)methyl]-7-oxidanylidene-2H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide Openeye Name: 3-[(4-fluorophenyl)methyl]-7-oxo-N-sec-butyl-2H-triazolo[4,5-d]pyrimidine-5-carboxamide CAS Name: N-butan-2-yl-3-[(4-fluorophenyl)methyl]-7-oxo-2H-triazolo[4,5-d]pyrimidine-5-carboxamide IUPAC Name: N-butan-2-yl-3-[(4-fluorophenyl)methyl]-7-oxo-2H-triazolo[4,5-d]pyrimidine-5-carboxamide Traditional Name: 3-(4-fluorobenzyl)-7-keto-N-sec-butyl-2H-triazolo[4,5-d]pyrimidine-5-carboxamide Formula: C16H17FN6O2 MolecularWeight: 344.343583

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=NC(=O)C2=NNN(C2=N1)CC3=CC=C(C=C3)F

Isomeric SMILES

CCC(C)NC(=O)C1=NC(=O)C2=NNN(C2=N1)CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H17FN6O2/c1-3-9(2)18-16(25)13-19-14-12(15(24)20-13)21-22-23(14)8-10-4-6-11(17)7-5-10/h4-7,9,22H,3,8H2,1-2H3,(H,18,25)