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

*Links on SpectraBase are not permalinks.

5-Pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-1,2,3,4-tetrahydro-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-2-oxo-, ethyl ester

View entire compound with spectra: 1 MS (GC)

5-Pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-1,2,3,4-tetrahydro-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-2-oxo-, ethyl ester
SpectraBase Compound ID HhA0AP52Kkp
InChI InChI=1S/C19H22N4O3S2/c1-5-26-17(24)15-14(9-27-19-23-22-12(4)28-19)20-18(25)21-16(15)13-8-10(2)6-7-11(13)3/h6-8,16H,5,9H2,1-4H3,(H2,20,21,25)
InChIKey SSZAQQKZISOLFY-UHFFFAOYSA-N
Mol Weight 418.53 g/mol
Molecular Formula C19H22N4O3S2
Exact Mass 418.113333 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 17MMBCMcJh5
Name 5-Pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-1,2,3,4-tetrahydro-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-2-oxo-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N4O3S2
InChI InChI=1S/C19H22N4O3S2/c1-5-26-17(24)15-14(9-27-19-23-22-12(4)28-19)20-18(25)21-16(15)13-8-10(2)6-7-11(13)3/h6-8,16H,5,9H2,1-4H3,(H2,20,21,25)
InChIKey SSZAQQKZISOLFY-UHFFFAOYSA-N
Molecular Weight 418.530 g/mol
SMILES N1C(NC(=C(C1c1c(ccc(c1)C)C)C(=O)OCC)CSc1sc(C)nn1)=O
SPLASH splash10-06ri-8971000000-0836dd720b61d0ce299b
Source of Spectrum IY-1-4700-6
Synonyms 4-(2,5-dimethylphenyl)-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 4-(2,5-dimethylphenyl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl 4-(2,5-dimethylphenyl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Wiley ID 1654989