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(5E)-1-(3-Methoxyphenyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 5QTzW5Ivphf
InChI InChI=1S/C16H13N3O3S/c1-22-12-6-2-5-11(9-12)19-15(21)13(14(20)18-16(19)23)8-10-4-3-7-17-10/h2-9,17H,1H3,(H,18,20,23)/b13-8+
InChIKey XRROVPWRCLRNCD-MDWZMJQESA-N
Mol Weight 327.36 g/mol
Molecular Formula C16H13N3O3S
Exact Mass 327.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3shzYjm44e
Name (5E)-1-(3-Methoxyphenyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Alternate Name(s) (5E)-1-(3-methoxyphenyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione (5E)-1-(3-methoxyphenyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-quinone (5E)-1-(3-methoxyphenyl)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Pyrimidine-4,6-dione, hexahydro-1-(3-methoxyphenyl)-5-(2-pyrrolylmethylene)-2-thioxo-
CAS Registry Number 346612-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O3S
InChI InChI=1S/C16H13N3O3S/c1-22-12-6-2-5-11(9-12)19-15(21)13(14(20)18-16(19)23)8-10-4-3-7-17-10/h2-9,17H,1H3,(H,18,20,23)/b13-8+
InChIKey XRROVPWRCLRNCD-MDWZMJQESA-N
Molecular Weight 327.358 g/mol
SMILES N1C(\C(=C/c2[nH]ccc2)C(N(C1=S)c1cc(OC)ccc1)=O)=O
SPLASH splash10-01r7-9801000000-0c0eba1a7a5b19291835
Source of Spectrum AD-0-2532-0
Wiley ID 1429322