名称: 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

分子式: C19H27BrN4O2

分子量: 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)

同義語

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

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