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1-(Benzothiazol-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
SpectraBase Compound ID 3bwurR1fwKm
InChI InChI=1S/C12H6N4OS/c13-5-8-6-14-7-16(11(8)17)12-15-9-3-1-2-4-10(9)18-12/h1-4,6-7H
InChIKey LMORKNQYUAWJBJ-UHFFFAOYSA-N
Mol Weight 254.27 g/mol
Molecular Formula C12H6N4OS
Exact Mass 254.026232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fNPCfX5nC1
Name 1-(Benzothiazol-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6N4OS
InChI InChI=1S/C12H6N4OS/c13-5-8-6-14-7-16(11(8)17)12-15-9-3-1-2-4-10(9)18-12/h1-4,6-7H
InChIKey LMORKNQYUAWJBJ-UHFFFAOYSA-N
Molecular Weight 254.267 g/mol
SMILES c1(N2C(C(C#N)=CN=C2)=O)nc2ccccc2s1
SPLASH splash10-0udj-3930000000-4f8018cc62692079e4eb
Source of Spectrum F2-44-4816-4
Synonyms 1-(1,3-benzothiazol-2-yl)-6-oxo-5-pyrimidinecarbonitrile 1-(1,3-benzothiazol-2-yl)-6-oxopyrimidine-5-carbonitrile 1-(1,3-benzothiazol-2-yl)-6-oxo-pyrimidine-5-carbonitrile 1-(1,3-benzothiazol-2-yl)-6-oxidanylidene-pyrimidine-5-carbonitrile
Wiley ID 1705687