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5-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
SpectraBase Compound ID K7FMhZlpEKO
InChI InChI=1S/C27H24N4OS/c1-27(2)13-19-22-18-6-4-3-5-15(18)11-12-20(22)29-24(23(19)21(32)14-27)16-7-9-17(10-8-16)25-30-31-26(28)33-25/h3-12,24,29H,13-14H2,1-2H3,(H2,28,31)
InChIKey WNVSGNCVYVTDSX-UHFFFAOYSA-N
Mol Weight 452.58 g/mol
Molecular Formula C27H24N4OS
Exact Mass 452.167083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FVzVy12tUX
Name 5-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Alternate Name(s) 5-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one 5-[4-(5-azanyl-1,3,4-thiadiazol-2-yl)phenyl]-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24N4OS
InChI InChI=1S/C27H24N4OS/c1-27(2)13-19-22-18-6-4-3-5-15(18)11-12-20(22)29-24(23(19)21(32)14-27)16-7-9-17(10-8-16)25-30-31-26(28)33-25/h3-12,24,29H,13-14H2,1-2H3,(H2,28,31)
InChIKey WNVSGNCVYVTDSX-UHFFFAOYSA-N
Molecular Weight 452.576 g/mol
SMILES N1c2ccc3c(c2C2=C(C1c1ccc(-c4sc(nn4)N)cc1)C(CC(C2)(C)C)=O)cccc3
SPLASH splash10-004i-3390000000-f4c4dd7fbdecdac93697
Wiley ID 1447245