3-METHYL-7-(3-METHYLBENZYL)-8-(OCTADECYLTHIO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE

CAS No.
CCD No.
CCD08066092
Formula
C32 H50 N4 O2 S
MolWeight
554.839

Basic Information

Product Name: 3-METHYL-7-(3-METHYLBENZYL)-8-(OCTADECYLTHIO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
English Synonyms: 3-METHYL-7-(3-METHYLBENZYL)-8-(OCTADECYLTHIO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
MDL Number.: MFCD01186391
H bond acceptor: 6
H bond donor: 1
Smile: CCCCCCCCCCCCCCCCCCSc1nc2c(n1Cc3cccc(c3)C)c(=O)[nH]c(=O)n2C
InChi: InChI=1S/C32H50N4O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-39-32-33-29-28(30(37)34-31(38)35(29)3)36(32)25-27-22-20-21-26(2)24-27/h20-22,24H,4-19,23,25H2,1-3H3,(H,34,37,38)
InChiKey: InChIKey=BNEBBTHARUXVOS-UHFFFAOYSA-N

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