Acetic acid, [[3-[6-[(2-furanylmethyl)amino]-6-oxohexyl]-3,4-dihydro-4-oxo-2-quinazolinyl]thio]-, ethyl ester

SpectraBase Compound ID	3rbpfKvpb4V
InChI	InChI=1S/C23H27N3O5S/c1-2-30-21(28)16-32-23-25-19-11-6-5-10-18(19)22(29)26(23)13-7-3-4-12-20(27)24-15-17-9-8-14-31-17/h5-6,8-11,14H,2-4,7,12-13,15-16H2,1H3,(H,24,27)
InChIKey	LBWNQMXPCLRBGK-UHFFFAOYSA-N Google Search
Mol Weight	457.55 g/mol
Molecular Formula	C23H27N3O5S
Exact Mass	457.167142 g/mol

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SpectraBase Spectrum ID	IRVz4ImYE4a
Name	Acetic acid, [[3-[6-[(2-furanylmethyl)amino]-6-oxohexyl]-3,4-dihydro-4-oxo-2-quinazolinyl]thio]-, ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	457.167142150 u
Formula	C23H27N3O5S
InChI	InChI=1S/C23H27N3O5S/c1-2-30-21(28)16-32-23-25-19-11-6-5-10-18(19)22(29)26(23)13-7-3-4-12-20(27)24-15-17-9-8-14-31-17/h5-6,8-11,14H,2-4,7,12-13,15-16H2,1H3,(H,24,27)
InChIKey	LBWNQMXPCLRBGK-UHFFFAOYSA-N
Molecular Weight	457.545 g/mol
SMILES	N(C(CCCCCN1C(=NC=2C(C1=O)=CC=CC2)SCC(=O)OCC)=O)CC=1OC=CC1