5-butyl-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-butyl-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-butyl-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-butyl-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-butyl-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-butyl-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C15H17N5O MolecularWeight: 283.32838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)C2=NNN(C2=N1)CC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NC(=O)C2=NNN(C2=N1)CC3=CC=CC=C3

InChI

InChI=1S/C15H17N5O/c1-2-3-9-12-16-14-13(15(21)17-12)18-19-20(14)10-11-7-5-4-6-8-11/h4-8,19H,2-3,9-10H2,1H3