S-((3,3-DIMETHYLBUTYL)THIO)THEOPHYLLINE

CAS No.
74039-73-9
CCD No.
CCD00239756
Formula
C13 H20 N4 O2 S
MolWeight
296.393

Basic Information

Product Name: S-((3,3-DIMETHYLBUTYL)THIO)THEOPHYLLINE
CAS: 74039-73-9
English Synonyms: S-((3,3-DIMETHYLBUTYL)THIO)THEOPHYLLINE
MDL Number.: MFCD01682294
H bond acceptor: 6
H bond donor: 1
Smile: CC(C)(C)CCSc1[nH]c2c(n1)n(c(=O)n(c2=O)C)C
InChi: InChI=1S/C13H20N4O2S/c1-13(2,3)6-7-20-11-14-8-9(15-11)16(4)12(19)17(5)10(8)18/h6-7H2,1-5H3,(H,14,15)
InChiKey: InChIKey=OQFWJOAZXUKWJO-UHFFFAOYSA-N

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