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(5E)-1-(3-Methylphenyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID KpQpdxNfLMO
InChI InChI=1S/C16H13N3O2S/c1-10-4-2-6-12(8-10)19-15(21)13(14(20)18-16(19)22)9-11-5-3-7-17-11/h2-9,17H,1H3,(H,18,20,22)/b13-9+
InChIKey BBWAMUBJFBUCLB-UKTHLTGXSA-N
Mol Weight 311.36 g/mol
Molecular Formula C16H13N3O2S
Exact Mass 311.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NmJySNEtk
Name (5E)-1-(3-Methylphenyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Alternate Name(s) (5E)-1-(3-methylphenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione (5E)-1-(m-tolyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione (5E)-1-(m-tolyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-quinone Pyrimidine-2,4(3H,5H)-dione, 1,2-dihydro-1-(3-methylphenyl)-5-(2-pyrrolylmethylene)-2-thioxo-
CAS Registry Number 346612-62-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O2S
InChI InChI=1S/C16H13N3O2S/c1-10-4-2-6-12(8-10)19-15(21)13(14(20)18-16(19)22)9-11-5-3-7-17-11/h2-9,17H,1H3,(H,18,20,22)/b13-9+
InChIKey BBWAMUBJFBUCLB-UKTHLTGXSA-N
Molecular Weight 311.359 g/mol
SMILES N1C(\C(=C/c2[nH]ccc2)C(N(C1=S)c1cc(C)ccc1)=O)=O
SPLASH splash10-03dm-9702000000-71c372afeb0203f053e2
Source of Spectrum AD-0-2532-0
Wiley ID 1429722