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CHEBI:116116 - 2-[(1-amino-1-oxopropan-2-yl)thio]-3-butyl-4-oxo-7-quinazolinecarboxylic acid methyl ester

ChEBI IDCHEBI:116116
ChEBI Name2-[(1-amino-1-oxopropan-2-yl)thio]-3-butyl-4-oxo-7-quinazolinecarboxylic acid methyl ester
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FormulaC17H21N3O4S
Net Charge0
Average Mass363.439
Monoisotopic Mass363.12528
SMILESCCCCn1c(SC(C)C(N)=O)nc2cc(C(=O)OC)ccc2c1=O
InChIInChI=1S/C17H21N3O4S/c1-4-5-8-20-15(22)12-7-6-11(16(23)24-3)9-13(12)19-17(20)25-10(2)14(18)21/h6-7,9-10H,4-5,8H2,1-3H3,(H2,18,21)
InChIKeyKOPJXQVAPJRMJZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1-amino-1-oxopropan-2-yl)thio]-3-butyl-4-oxo-7-quinazolinecarboxylic acid methyl ester (CHEBI:116116) is a quinazolines (CHEBI:38530)
Manual XrefsDatabases
LSM-27572LINCS