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N-[2-[butyl(methyl)amino]ethyl]-6-(8-keto-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide
SpectraBase Compound ID IvNNBhVPKPB
InChI InChI=1S/C22H32N4O4S/c1-3-4-10-25(2)12-9-23-20(27)8-6-5-7-11-26-21(28)16-13-18-19(30-15-29-18)14-17(16)24-22(26)31/h13-14H,3-12,15H2,1-2H3,(H,23,27)(H,24,31)
InChIKey BTAKWAKEILTQNJ-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C22H32N4O4S
Exact Mass 448.214427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdUVVgzFzeZ
Name N-[2-[butyl(methyl)amino]ethyl]-6-(8-keto-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N4O4S
InChI InChI=1S/C22H32N4O4S/c1-3-4-10-25(2)12-9-23-20(27)8-6-5-7-11-26-21(28)16-13-18-19(30-15-29-18)14-17(16)24-22(26)31/h13-14H,3-12,15H2,1-2H3,(H,23,27)(H,24,31)
InChIKey BTAKWAKEILTQNJ-UHFFFAOYSA-N
Molecular Weight 448.582 g/mol
SMILES N(C(CCCCCN1C(c2cc3OCOc3cc2NC1=S)=O)=O)CCN(CCCC)C
SPLASH splash10-0udi-8910000000-937f26cc94728940e65d
Synonyms N-[2-[butyl(methyl)amino]ethyl]-6-(8-oxidanylidene-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide N-[2-[butyl(methyl)amino]ethyl]-6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide N-[2-[butyl(methyl)amino]ethyl]-6-(8-oxo-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide
Wiley ID 1444418