For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Phenylmethylamino-3,6-diphenyl-7-thioxo-3H-thiino[2,3-d]pyrimidine-4-one
SpectraBase Compound ID JX6PJG8IIqP
InChI InChI=1S/C26H19N3OS2/c30-24-22-16-21(19-12-6-2-7-13-19)25(31)32-23(22)28-26(27-17-18-10-4-1-5-11-18)29(24)20-14-8-3-9-15-20/h1-16H,17H2,(H,27,28)
InChIKey GVKTWJJNMZKKJM-UHFFFAOYSA-N
Mol Weight 453.58 g/mol
Molecular Formula C26H19N3OS2
Exact Mass 453.096955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7FcAMexUpnv
Name 2-Phenylmethylamino-3,6-diphenyl-7-thioxo-3H-thiino[2,3-d]pyrimidine-4-one
Alternate Name(s) 3,6-diphenyl-2-[(phenylmethyl)amino]-7-sulfanylidene-4-thiopyrano[2,3-d]pyrimidinone 2-(benzylamino)-3,6-diphenyl-7-sulfanylidenethiopyrano[2,3-d]pyrimidin-4-one 3,6-diphenyl-2-[(phenylmethyl)amino]-7-sulfanylidene-thiopyrano[2,3-d]pyrimidin-4-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H19N3OS2
InChI InChI=1S/C26H19N3OS2/c30-24-22-16-21(19-12-6-2-7-13-19)25(31)32-23(22)28-26(27-17-18-10-4-1-5-11-18)29(24)20-14-8-3-9-15-20/h1-16H,17H2,(H,27,28)
InChIKey GVKTWJJNMZKKJM-UHFFFAOYSA-N
Molecular Weight 453.578 g/mol
SMILES N(C=1N(C(C2=C(N1)SC(C(=C2)c1ccccc1)=S)=O)c1ccccc1)Cc1ccccc1
SPLASH splash10-0udi-0000900000-0d2ddb098a5b525be4a5
Source of Spectrum Y-49-392-15e
Wiley ID 1706530