O=c1c2[nH]c(Br)nc2n(CC2CCCCC2)c(=O)n1CC1CCCCC1
Name: 1,3-di-cyclohexylmethyl-8-bromo xanthine
IUPAC: 8-bromo-1,3-bis(cyclohexylmethyl)-7H-purine-2,6-dione
SMILES: O=c1c2[nH]c(Br)nc2n(CC2CCCCC2)c(=O)n1CC1CCCCC1
Canonical SMILES: C1CCC(CC1)CN2C3=C(C(=O)N(C2=O)CC4CCCCC4)NC(=N3)Br
Summenformel: C19H27BrN4O2
Molare Masse: 423.30
InChIKey: CCCFLROKQFJCMT-UHFFFAOYSA-N
InChI: InChI=1S/C19H27BrN4O2/c20-18-21-15-16(22-18)23(11-13-7-3-1-4-8-13)19(26)24(17(15)25)12-14-9-5-2-6-10-14/h13-14H,1-12H2,(H,21,22)
PubChem CID: 10202505 →

Synonyme

SCHEMBL7021179CCCFLROKQFJCMT-UHFFFAOYSA-N1,3-di-cyclohexylmethyl-8-bromo xanthine

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