CHEBI:93236 - 6-(1,3-benzodioxol-5-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-(1,3-benzodioxol-5-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine
ChEBI ID CHEBI:93236
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H17N3O2S
Net Charge 0
Average Mass 375.445
Monoisotopic Mass 375.10415
InChI InChI=1S/C21H17N3O2S/c1-13-6-16(27-10-13)9-22-21-17-7-14(2-4-18(17)23-11-24-21)15-3-5-19-20(8-15)26-12-25-19/h2-8,10-11H,9,12H2,1H3,(H,22,23,24)
InChIKey ILSGPCUGHZGSDN-UHFFFAOYSA-N
SMILES CC1=CSC(=C1)CNC2=NC=NC3=C2C=C(C=C3)C4=CC5=C(C=C4)OCO5
ChEBI Ontology
Outgoing 6-(1,3-benzodioxol-5-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine (CHEBI:93236) is a quinazolines (CHEBI:38530)
Manual Xref Database
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