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4,7-bis(azanyl)-2-[(4-chlorophenyl)methylsulfanyl]-5-pyridin-3-yl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
SpectraBase Compound ID EzBPPyIRg8I
InChI InChI=1S/C20H15ClN6OS/c21-13-5-3-11(4-6-13)10-29-20-26-17(23)16-15(12-2-1-7-25-9-12)14(8-22)18(24)28-19(16)27-20/h1-7,9,15H,10,24H2,(H2,23,26,27)
InChIKey QPOMXANBCMEVEN-UHFFFAOYSA-N
Mol Weight 422.89 g/mol
Molecular Formula C20H15ClN6OS
Exact Mass 422.071658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwbUGTf8nO1
Name 4,7-bis(azanyl)-2-[(4-chlorophenyl)methylsulfanyl]-5-pyridin-3-yl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15ClN6OS
InChI InChI=1S/C20H15ClN6OS/c21-13-5-3-11(4-6-13)10-29-20-26-17(23)16-15(12-2-1-7-25-9-12)14(8-22)18(24)28-19(16)27-20/h1-7,9,15H,10,24H2,(H2,23,26,27)
InChIKey QPOMXANBCMEVEN-UHFFFAOYSA-N
Molecular Weight 422.894 g/mol
SMILES Nc1nc(nc2OC(=C(C(c12)c1cnccc1)C#N)N)SCc1ccc(cc1)Cl
SPLASH splash10-0ug0-9600000000-ba9ae59ab468a91552db
Synonyms 4,7-Diamino-2-[(4-chlorobenzyl)thio]-5-(3-pyridyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile 4,7-Diamino-2-[(4-chlorophenyl)methylsulfanyl]-5-(3-pyridyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile 4,7-Diamino-2-[(4-chlorophenyl)methylsulfanyl]-5-pyridin-3-yl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile 4,7-Diamino-2-[(4-chlorophenyl)methylthio]-5-(3-pyridinyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Wiley ID 1512404