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3-[(E)-(2,6-dichlorobenzylidene)amino]-2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID LIaRZGhSFCe
InChI InChI=1S/C18H15Cl2N3OS/c1-10-22-17-16(11-5-2-3-8-15(11)25-17)18(24)23(10)21-9-12-13(19)6-4-7-14(12)20/h4,6-7,9H,2-3,5,8H2,1H3/b21-9+
InChIKey OEMAMYIIFRYHLE-ZVBGSRNCSA-N
Mol Weight 392.3 g/mol
Molecular Formula C18H15Cl2N3OS
Exact Mass 391.031289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZXWWhr6M9B
Name 3-[(E)-(2,6-dichlorobenzylidene)amino]-2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one
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Formula C18H15Cl2N3OS
InChI InChI=1S/C18H15Cl2N3OS/c1-10-22-17-16(11-5-2-3-8-15(11)25-17)18(24)23(10)21-9-12-13(19)6-4-7-14(12)20/h4,6-7,9H,2-3,5,8H2,1H3/b21-9+
InChIKey OEMAMYIIFRYHLE-ZVBGSRNCSA-N
Molecular Weight 392.304 g/mol
SMILES c1cc(c(c(c1)Cl)\C=N\N1C(=Nc2sc3CCCCc3c2C1=O)C)Cl
SPLASH splash10-00dl-7970000000-6ec9da027e73341ddaf4
Synonyms 3-[(E)-(2,6-dichlorophenyl)methyleneamino]-2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 3-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one 3-[(E)-[2,6-bis(chloranyl)phenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Wiley ID 1453653