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6-[(PARA-DIMETHYLAMINO)-PHENYL]-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
SpectraBase Compound ID 4GYRhSpmnLu
InChI InChI=1S/C13H12N4OS/c1-17(2)9-5-3-8(4-6-9)11-10(7-14)12(18)16-13(19)15-11/h3-6H,1-2H3,(H2,15,16,18,19)
InChIKey NZCHSGKDKQKDBL-UHFFFAOYSA-N
Mol Weight 272.33 g/mol
Molecular Formula C13H12N4OS
Exact Mass 272.073182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKZPReDRDC2
Name 4-[4-(Dimethylamino)phenyl]-6-oxo-2-sulfanyl-1,6-dihydro-5-pyrimidinecarbonitrile
Alternate Name(s) 6-(4-Dimethylaminophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Pyrimidine-5-carbonitrile, 3,4-dihydro-6-(dimethylaminophenyl)-2-mercapto-4-oxo- 6-[4-(dimethylamino)phenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 6-[4-(dimethylamino)phenyl]-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile 6-[4-(dimethylamino)phenyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CAS Registry Number 70638-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4OS
InChI InChI=1S/C13H12N4OS/c1-17(2)9-5-3-8(4-6-9)11-10(7-14)12(18)16-13(19)15-11/h3-6H,1-2H3,(H2,15,16,18,19)
InChIKey NZCHSGKDKQKDBL-UHFFFAOYSA-N
Molecular Weight 272.326 g/mol
SMILES N1C(C(=C(NC1=S)c1ccc(cc1)N(C)C)C#N)=O
SPLASH splash10-00di-0190000000-65b998830d669be94514
Source of Spectrum SO-1979-288-4
Wiley ID 1537249