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CHEBI:45797 - 5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE

Default Structure
ChEBI IDCHEBI:45797
ChEBI Name5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC16H15N3OS
Net Charge0
Average Mass297.383
Monoisotopic Mass297.09358
SMILES[H]c1c([H])c2c(c([H])c1-c1c([H])c([H])c(C#N)n1C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])OC(=S)N2[H]
InChIInChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)
InChIKeyPYVFWTPEBMRKSR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE (CHEBI:45797) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5-(4,4-dimethyl-2-thioxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrilePDBeChem
5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILEPDBeChem
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