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Ethyl-7-amino-5-(4-chlorophenyl)-2,4-dithioxo-2,3,4,5-tetrahydro-1H-thiopyrano[2,3-d]pyrimidine-6-carboxylate
SpectraBase Compound ID 5ewKqxLAzKF
InChI InChI=1S/C16H14ClN3O2S3/c1-2-22-15(21)10-9(7-3-5-8(17)6-4-7)11-13(23)19-16(24)20-14(11)25-12(10)18/h3-6,9H,2,18H2,1H3,(H2,19,20,23,24)
InChIKey KUVFNJFRNRJPAA-UHFFFAOYSA-N
Mol Weight 411.94 g/mol
Molecular Formula C16H14ClN3O2S3
Exact Mass 410.993668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GiCFdfVP0XP
Name Ethyl-7-amino-5-(4-chlorophenyl)-2,4-dithioxo-2,3,4,5-tetrahydro-1H-thiopyrano[2,3-d]pyrimidine-6-carboxylate
Alternate Name(s) 7-amino-5-(4-chlorophenyl)-2,4-bis(sulfanylidene)-1,5-dihydrothiopyrano[2,3-d]pyrimidine-6-carboxylic acid ethyl ester ethyl 7-amino-5-(4-chlorophenyl)-2,4-bis(sulfanylidene)-1,5-dihydrothiopyrano[2,3-d]pyrimidine-6-carboxylate ethyl 7-amino-5-(4-chlorophenyl)-2,4-dithioxo-1,5-dihydrothiopyrano[2,3-d]pyrimidine-6-carboxylate ethyl 7-azanyl-5-(4-chlorophenyl)-2,4-bis(sulfanylidene)-1,5-dihydrothiopyrano[2,3-d]pyrimidine-6-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C16H14ClN3O2S3
InChI InChI=1S/C16H14ClN3O2S3/c1-2-22-15(21)10-9(7-3-5-8(17)6-4-7)11-13(23)19-16(24)20-14(11)25-12(10)18/h3-6,9H,2,18H2,1H3,(H2,19,20,23,24)
InChIKey KUVFNJFRNRJPAA-UHFFFAOYSA-N
Molecular Weight 411.940 g/mol
SMILES N1C(C=2C(C(=C(SC2NC1=S)N)C(=O)OCC)c1ccc(cc1)Cl)=S
SPLASH splash10-0006-0900000000-496ae43a5d2c9d7a770a
Source of Spectrum F2-47-22-11
Wiley ID 1706218