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2-(1,3-dithian-2-ylidene)-5-(4-methoxyphenyl)-7-phenyl-5H-thiazolo[3,2-a]pyrimidin-3-one
SpectraBase Compound ID 4J2zLp3iRXM
InChI InChI=1S/C23H20N2O2S3/c1-27-17-10-8-16(9-11-17)19-14-18(15-6-3-2-4-7-15)24-23-25(19)21(26)20(30-23)22-28-12-5-13-29-22/h2-4,6-11,14,19H,5,12-13H2,1H3
InChIKey MGCCKZPPVLBFCT-UHFFFAOYSA-N
Mol Weight 452.61 g/mol
Molecular Formula C23H20N2O2S3
Exact Mass 452.068691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2EuqVpccPw
Name 2-(1,3-dithian-2-ylidene)-5-(4-methoxyphenyl)-7-phenyl-5H-thiazolo[3,2-a]pyrimidin-3-one
Alternate Name(s) 2-(1,3-dithian-2-ylidene)-5-(4-methoxyphenyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20N2O2S3
InChI InChI=1S/C23H20N2O2S3/c1-27-17-10-8-16(9-11-17)19-14-18(15-6-3-2-4-7-15)24-23-25(19)21(26)20(30-23)22-28-12-5-13-29-22/h2-4,6-11,14,19H,5,12-13H2,1H3
InChIKey MGCCKZPPVLBFCT-UHFFFAOYSA-N
Molecular Weight 452.605 g/mol
SMILES C1CCSC(=C2C(N3C(=NC(=CC3c3ccc(cc3)OC)c3ccccc3)S2)=O)S1
SPLASH splash10-01ot-2935100000-03cbe489c603e08447c1
Wiley ID 1444397