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5-(4-chlorophenyl)-2-(dimethylamino)-7-methyl-4-(4-morpholinyl)-5H-pyrano[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
SpectraBase Compound ID 2dAIgGJQXUA
InChI InChI=1S/C23H27ClN4O4/c1-5-31-22(29)17-14(2)32-21-19(18(17)15-6-8-16(24)9-7-15)20(25-23(26-21)27(3)4)28-10-12-30-13-11-28/h6-9,18H,5,10-13H2,1-4H3
InChIKey VWRLAOAZTCUSBN-UHFFFAOYSA-N
Mol Weight 458.95 g/mol
Molecular Formula C23H27ClN4O4
Exact Mass 458.172083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNTbTcNI7c4
Name 5-(4-chlorophenyl)-2-(dimethylamino)-7-methyl-4-(4-morpholinyl)-5H-pyrano[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
Alternate Name(s) 5-(4-chlorophenyl)-2-(dimethylamino)-7-methyl-4-morpholino-5H-pyrano[2,3-d]pyrimidine-6-carboxylic acid ethyl ester ethyl 5-(4-chlorophenyl)-2-(dimethylamino)-7-methyl-4-morpholin-4-yl-5H-pyrano[2,3-d]pyrimidine-6-carboxylate ethyl 5-(4-chlorophenyl)-2-(dimethylamino)-7-methyl-4-morpholino-5H-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 C23H27ClN4O4
InChI InChI=1S/C23H27ClN4O4/c1-5-31-22(29)17-14(2)32-21-19(18(17)15-6-8-16(24)9-7-15)20(25-23(26-21)27(3)4)28-10-12-30-13-11-28/h6-9,18H,5,10-13H2,1-4H3
InChIKey VWRLAOAZTCUSBN-UHFFFAOYSA-N
Molecular Weight 458.946 g/mol
SMILES c12c(nc(nc2OC(=C(C1c1ccc(cc1)Cl)C(=O)OCC)C)N(C)C)N1CCOCC1
SPLASH splash10-0002-0009300000-373228302928ca0c9ca3
Source of Spectrum F-51-5910-5
Wiley ID 792052