6-Chloro-2,8-di(dimethylamino)-5-(3,4-methylenedioxyphenyl)-4-propylamino-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine

SpectraBase Compound ID	G6gPMXmGhnV
InChI	InChI=1S/C23H26ClN7O2S/c1-6-9-25-19-17-15(12-7-8-13-14(10-12)33-11-32-13)16-18(24)26-22(30(2)3)28-20(16)34-21(17)29-23(27-19)31(4)5/h7-8,10,15H,6,9,11H2,1-5H3,(H,25,27,29)
InChIKey	PXONOOLXWWUIHZ-UHFFFAOYSA-N Google Search
Mol Weight	500.02 g/mol
Molecular Formula	C23H26ClN7O2S
Exact Mass	499.155722 g/mol

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SpectraBase Spectrum ID	1LZtWSjFAjk
Name	6-Chloro-2,8-di(dimethylamino)-5-(3,4-methylenedioxyphenyl)-4-propylamino-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine
Alternate Name(s)	5-(1,3-benzodioxol-5-yl)-6-chloro-N(2),N(2),N(8),N(8)-tetramethyl-N(4)-propyl-5H-pyrimido[5',4':5,6]thiino[2,3-d]pyrimidine-2,4,8-triamine N-[5-(1,3-benzodioxol-5-yl)-6-chloro-2,8-bis(dimethylamino)-5H-pyrimido[5',4':5,6]thiino[2,3-d]pyrimidin-4-yl]-N-propylamine
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H26ClN7O2S
InChI	InChI=1S/C23H26ClN7O2S/c1-6-9-25-19-17-15(12-7-8-13-14(10-12)33-11-32-13)16-18(24)26-22(30(2)3)28-20(16)34-21(17)29-23(27-19)31(4)5/h7-8,10,15H,6,9,11H2,1-5H3,(H,25,27,29)
InChIKey	PXONOOLXWWUIHZ-UHFFFAOYSA-N
Molecular Weight	500.021 g/mol
SMILES	N(c1nc(nc2Sc3nc(N(C)C)nc(c3C(c3cc4OCOc4cc3)c12)Cl)N(C)C)CCC
SPLASH	splash10-014i-9000110000-3df1cd81044c2ff1a0a7
Source of Spectrum	H1-52-346-5
Wiley ID	817554