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3-Benzyl-2-mercapto-5-(4-methoxy-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID 36jovszzivf
InChI InChI=1S/C20H16N2O2S2/c1-24-15-9-7-14(8-10-15)16-12-26-18-17(16)19(23)22(20(25)21-18)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,25)
InChIKey YYRAPPHZMUQHIP-UHFFFAOYSA-N
Mol Weight 380.48 g/mol
Molecular Formula C20H16N2O2S2
Exact Mass 380.06532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8I1de2Is3fO
Name 3-Benzyl-2-mercapto-5-(4-methoxy-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N2O2S2
InChI InChI=1S/C20H16N2O2S2/c1-24-15-9-7-14(8-10-15)16-12-26-18-17(16)19(23)22(20(25)21-18)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,25)
InChIKey YYRAPPHZMUQHIP-UHFFFAOYSA-N
Molecular Weight 380.480 g/mol
SMILES SC1=Nc2scc(c2C(N1Cc1ccccc1)=O)-c1ccc(cc1)OC
SPLASH splash10-001i-6956000000-695028feeaf791ba0042
Synonyms 3-Benzyl-5-(4-methoxyphenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one 3-Benzyl-5-(4-methoxyphenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one 3-Benzyl-5-(4-methoxyphenyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 5-(4-Methoxyphenyl)-3-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Wiley ID 1448086