CCOP(=O)(CCCCn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C)OCC

Name: diethyl [4-(1-benzyl-3-methylxanthin-7-yl)-butyl]phosphonate

IUPAC: 1-benzyl-7-(4-diethoxyphosphorylbutyl)-3-methylpurine-2,6-dione

SMILES: CCOP(=O)(CCCCn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C)OCC

Canonical SMILES: CCOP(=O)(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3)OCC

Summenformel: C21H29N4O5P

Molare Masse: 448.50

InChIKey: BRRNTNHEQOXPIW-UHFFFAOYSA-N

InChI:

InChI=1S/C21H29N4O5P/c1-4-29-31(28,30-5-2)14-10-9-13-24-16-22-19-18(24)20(26)25(21(27)23(19)3)15-17-11-7-6-8-12-17/h6-8,11-12,16H,4-5,9-10,13-15H2,1-3H3

PubChem CID: 22446290 →

Synonyme

SCHEMBL7454317BRRNTNHEQOXPIW-UHFFFAOYSA-Ndiethyl [4-(1-benzyl-3-methylxanthin-7-yl)-butyl]phosphonateDiethyl [4-(1-benzyl-3-methylxanthin-7-yl)butyl]phosphonate

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