Ethyl-7-amino-5-(4-chlorophenyl)-4-oxo-2-thioxo-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carboxylate

SpectraBase Compound ID	4ZcqkHsoeUd
InChI	InChI=1S/C16H14ClN3O4S/c1-2-23-15(22)10-9(7-3-5-8(17)6-4-7)11-13(21)19-16(25)20-14(11)24-12(10)18/h3-6,9H,2,18H2,1H3,(H2,19,20,21,25)
InChIKey	ISLQWWGRJLDPGI-UHFFFAOYSA-N Google Search
Mol Weight	379.82 g/mol
Molecular Formula	C16H14ClN3O4S
Exact Mass	379.039355 g/mol

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SpectraBase Spectrum ID	JhTkYeGvYtd
Name	Ethyl-7-amino-5-(4-chlorophenyl)-4-oxo-2-thioxo-2,3,4,5-tetrahydro-1H-pyrano[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	C16H14ClN3O4S
InChI	InChI=1S/C16H14ClN3O4S/c1-2-23-15(22)10-9(7-3-5-8(17)6-4-7)11-13(21)19-16(25)20-14(11)24-12(10)18/h3-6,9H,2,18H2,1H3,(H2,19,20,21,25)
InChIKey	ISLQWWGRJLDPGI-UHFFFAOYSA-N
Molecular Weight	379.818 g/mol
SMILES	N1C(C=2C(C(=C(OC2NC1=S)N)C(=O)OCC)c1ccc(cc1)Cl)=O
SPLASH	splash10-000i-0901000000-aec2662f801115d06b9b
Source of Spectrum	F2-47-21-10
Synonyms	7-amino-5-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylic acid ethyl ester ethyl 7-amino-5-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate ethyl 7-amino-5-(4-chlorophenyl)-4-oxo-2-thioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate ethyl 7-azanyl-5-(4-chlorophenyl)-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
Wiley ID	1706219