CHEBI:92117 - 6-(1,3-benzodioxol-5-yl)-N-methyl-N-[(2-methyl-4-thiazolyl)methyl]-4-quinazolinamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-(1,3-benzodioxol-5-yl)-N-methyl-N-[(2-methyl-4-thiazolyl)methyl]-4-quinazolinamine
ChEBI ID CHEBI:92117
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H18N4O2S
Net Charge 0
Average Mass 390.460
Monoisotopic Mass 390.11505
InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3
InChIKey PMDAVRLCSZSLRH-UHFFFAOYSA-N
SMILES CC1=NC(=CS1)CN(C)C2=NC=NC3=C2C=C(C=C3)C4=CC5=C(C=C4)OCO5
ChEBI Ontology
Outgoing 6-(1,3-benzodioxol-5-yl)-N-methyl-N-[(2-methyl-4-thiazolyl)methyl]-4-quinazolinamine (CHEBI:92117) is a quinazolines (CHEBI:38530)
Manual Xref Database
LSM-2118 LINCS
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