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2-([(1-Methyl-1H-benzimidazol-2-yl)methyl]sulfanyl)-6-propyl-4(1H)-pyrimidinone
SpectraBase Compound ID IPaAHlINh52
InChI InChI=1S/C16H18N4OS/c1-3-6-11-9-15(21)19-16(17-11)22-10-14-18-12-7-4-5-8-13(12)20(14)2/h4-5,7-9H,3,6,10H2,1-2H3,(H,17,19,21)
InChIKey FHAQVIBQFCWMQI-UHFFFAOYSA-N
Mol Weight 314.41 g/mol
Molecular Formula C16H18N4OS
Exact Mass 314.120132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ek1zjuooac7
Name 2-([(1-Methyl-1H-benzimidazol-2-yl)methyl]sulfanyl)-6-propyl-4(1H)-pyrimidinone
Alternate Name(s) 2-[(1-methyl-2-benzimidazolyl)methylthio]-6-propyl-1H-pyrimidin-4-one 2-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one 2-[(1-methylbenzimidazol-2-yl)methylthio]-6-propyl-1H-pyrimidin-4-one Pyrimidin-4(1H)-one, 2-(1-methyl-2-benzimidazolylmethylthio)-6-propyl-
CAS Registry Number 312622-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N4OS
InChI InChI=1S/C16H18N4OS/c1-3-6-11-9-15(21)19-16(17-11)22-10-14-18-12-7-4-5-8-13(12)20(14)2/h4-5,7-9H,3,6,10H2,1-2H3,(H,17,19,21)
InChIKey FHAQVIBQFCWMQI-UHFFFAOYSA-N
Molecular Weight 314.407 g/mol
SMILES N1C(=CC(N=C1SCc1nc2ccccc2[n]1C)=O)CCC
SPLASH splash10-002b-6911000000-2a0d94374e78890de8b1
Source of Spectrum AD-0-2532-0
Wiley ID 1434787