8-BROMO-7-BUT-2-YNYL-3-METHYL-1-(4-METHYL-QUINAZOLIN-2-YLMETHYL)-3,7-DIHYDRO-PURINE-2,6-DIONE

CAS No.
853029-57-9
CCD No.
CCD04335115
Formula
C20 H17 Br N6 O2
MolWeight
453.298

Basic Information

Product Name: 8-BROMO-7-BUT-2-YNYL-3-METHYL-1-(4-METHYL-QUINAZOLIN-2-YLMETHYL)-3,7-DIHYDRO-PURINE-2,6-DIONE
CAS: 853029-57-9
English Synonyms: 1-[(4-METHYLQUINAZOLIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-BROMOXANTHINE ; 8-BROMO-7-(2-BUTYN-1-YL)-3,7-DIHYDRO-3-METHYL-1-[(4-METHYL-2-QUINAZOLINYL)METHYL]-1H-PURINE-2,6-DIONE ; 8-BROMO-7-BUT-2-YNYL-3-METHYL-1-(4-METHYL-QUINAZOLIN-2-YLMETHYL)-3,7-DIHYDRO-PURINE-2,6-DIONE
MDL Number.: MFCD18642578
H bond acceptor: 8
H bond donor: 0
Smile: CC#CCn1c2c(nc1Br)n(c(=O)n(c2=O)Cc3nc(c4ccccc4n3)C)C
InChi: InChI=1S/C20H17BrN6O2/c1-4-5-10-26-16-17(24-19(26)21)25(3)20(29)27(18(16)28)11-15-22-12(2)13-8-6-7-9-14(13)23-15/h6-9H,10-11H2,1-3H3
InChiKey: InChIKey=RCZJXCXNYGHNSR-UHFFFAOYSA-N

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