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2-(isoxazol-3-ylmethylsulfanyl)-3,7-dimethyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID HmNGVxixKlI
InChI InChI=1S/C16H17N3O2S2/c1-9-3-4-11-12(7-9)23-14-13(11)15(20)19(2)16(17-14)22-8-10-5-6-21-18-10/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey RLUMWVIQGIRZEM-UHFFFAOYSA-N
Mol Weight 347.45 g/mol
Molecular Formula C16H17N3O2S2
Exact Mass 347.076219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5naQPoPR7LG
Name 2-(isoxazol-3-ylmethylsulfanyl)-3,7-dimethyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
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Formula C16H17N3O2S2
InChI InChI=1S/C16H17N3O2S2/c1-9-3-4-11-12(7-9)23-14-13(11)15(20)19(2)16(17-14)22-8-10-5-6-21-18-10/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey RLUMWVIQGIRZEM-UHFFFAOYSA-N
Molecular Weight 347.451 g/mol
SMILES c12c(N=C(SCc3nocc3)N(C1=O)C)sc1c2CCC(C)C1
SPLASH splash10-0002-4798000000-d17dac510a85f775a32e
Synonyms 2-[(3-isoxazolylmethyl)sulfanyl]-3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Wiley ID 1511236