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2-(4-nitrophenyl)-1-sulfanylidene-4-pyrimido[1,6-a]benzimidazolecarboxylic acid ethyl ester
SpectraBase Compound ID 8NberrqY59F
InChI InChI=1S/C19H14N4O4S/c1-2-27-18(24)14-11-21(12-7-9-13(10-8-12)23(25)26)19(28)22-16-6-4-3-5-15(16)20-17(14)22/h3-11H,2H2,1H3
InChIKey VSKJSKQPIVUALL-UHFFFAOYSA-N
Mol Weight 394.41 g/mol
Molecular Formula C19H14N4O4S
Exact Mass 394.073576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFsjHw375PY
Name 2-(4-nitrophenyl)-1-sulfanylidene-4-pyrimido[1,6-a]benzimidazolecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14N4O4S
InChI InChI=1S/C19H14N4O4S/c1-2-27-18(24)14-11-21(12-7-9-13(10-8-12)23(25)26)19(28)22-16-6-4-3-5-15(16)20-17(14)22/h3-11H,2H2,1H3
InChIKey VSKJSKQPIVUALL-UHFFFAOYSA-N
Molecular Weight 394.405 g/mol
SMILES c12[n](C(N(C=C2C(=O)OCC)c2ccc(N(=O)=O)cc2)=S)c2c(n1)cccc2
SPLASH splash10-0006-0509000000-331f31f14a9bef20f975
Source of Spectrum SO-0-968-6
Synonyms 2-(4-nitrophenyl)-1-thioxo-pyrimido[1,6-a]benzimidazole-4-carboxylic acid ethyl ester Ethyl 2-(4-nitrophenyl)-1-sulfanylidene-pyrimido[1,6-a]benzimidazole-4-carboxylate Ethyl 2-(4-nitrophenyl)-1-thioxo-pyrimido[1,6-a]benzimidazole-4-carboxylate
Wiley ID 875653