2-(benzotriazol-1-ylmethylsulfanyl)-5-butyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-(benzotriazol-1-ylmethylsulfanyl)-5-butyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-(benzotriazol-1-ylmethylsulfanyl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-(1-benzotriazolylmethylthio)-5-butyl-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-(benzotriazol-1-ylmethylsulfanyl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-(benzotriazol-1-ylmethylthio)-5-butyl-4-hydroxy-1H-pyrimidin-6-one Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)SCN2C3=CC=CC=C3N=N2)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)SCN2C3=CC=CC=C3N=N2)O

InChI

InChI=1S/C15H17N5O2S/c1-2-3-6-10-13(21)16-15(17-14(10)22)23-9-20-12-8-5-4-7-11(12)18-19-20/h4-5,7-8H,2-3,6,9H2,1H3,(H2,16,17,21,22)