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N,N-Diethyl-2-(9H-pyrimido[4,5-b]indol-2-ylsulfanyl)acetamide
SpectraBase Compound ID GznpDP2krsU
InChI InChI=1S/C16H18N4OS/c1-3-20(4-2)14(21)10-22-16-17-9-12-11-7-5-6-8-13(11)18-15(12)19-16/h5-9H,3-4,10H2,1-2H3,(H,17,18,19)
InChIKey XOXBIJDEXCQWKZ-UHFFFAOYSA-N
Mol Weight 314.41 g/mol
Molecular Formula C16H18N4OS
Exact Mass 314.120132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gKSAoiQI6M
Name N,N-Diethyl-2-(9H-pyrimido[4,5-b]indol-2-ylsulfanyl)acetamide
CAS Registry Number 257633-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N4OS
InChI InChI=1S/C16H18N4OS/c1-3-20(4-2)14(21)10-22-16-17-9-12-11-7-5-6-8-13(11)18-15(12)19-16/h5-9H,3-4,10H2,1-2H3,(H,17,18,19)
InChIKey XOXBIJDEXCQWKZ-UHFFFAOYSA-N
Molecular Weight 314.407 g/mol
SMILES N1C(=NC=C2C1=Nc1ccccc21)SCC(N(CC)CC)=O
SPLASH splash10-0fk9-6913000000-78e4b1ff7718273f9e24
Source of Spectrum O1-35-1066-7
Synonyms Acetamide, 2-(indolo[2,3-d]pyrimidin-2-yl)thio-N,N-diethyl- N,N-diethyl-2-(9H-pyrimido[4,5-b]indol-2-ylsulfanyl)ethanamide N,N-diethyl-2-(9H-pyrimido[4,5-b]indol-2-ylthio)acetamide N,N-diethyl-2-(9H-pyrimid[4,5-b]indol-2-ylthio)acetamide
Wiley ID 819540