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3-{[(2-hydroxy-3-nitrophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 2ZggB15i1MQ
InChI InChI=1S/C18H16N4O4S/c1-10-20-17-15(12-6-2-3-8-14(12)27-17)18(24)21(10)19-9-11-5-4-7-13(16(11)23)22(25)26/h4-5,7,9,23H,2-3,6,8H2,1H3/b19-9+
InChIKey WSRARGLMBJQYES-DJKKODMXSA-N
Mol Weight 384.41 g/mol
Molecular Formula C18H16N4O4S
Exact Mass 384.089226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAEXlvGMhy2
Name 3-{[(2-hydroxy-3-nitrophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Alternate Name(s) 3-{[(E)-(2-hydroxy-3-nitrophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one Pyrimido[4,5-b]benzothien-4(3H)-one, 5,6, 7,8-tetrahydro-3-(2-hydroxy-3-nitrobenzylidenamino)-2-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N4O4S
InChI InChI=1S/C18H16N4O4S/c1-10-20-17-15(12-6-2-3-8-14(12)27-17)18(24)21(10)19-9-11-5-4-7-13(16(11)23)22(25)26/h4-5,7,9,23H,2-3,6,8H2,1H3/b19-9+
InChIKey WSRARGLMBJQYES-DJKKODMXSA-N
Molecular Weight 384.410 g/mol
SMILES Oc1c(N(=O)=O)cccc1\C=N\N1C(c2c(N=C1C)sc1c2CCCC1)=O
SPLASH splash10-00r6-8972000000-3d0d2da5059316c83e4e
Wiley ID 1453649