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 Google Search
Mol Weight	411.94 g/mol
Molecular Formula	C16H14ClN3O2S3
Exact Mass	410.993668 g/mol

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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
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Synonyms	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
Wiley ID	1706218