7-(cyclopropylmethyl)-1-(4-diethoxyphosphorylbutyl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-(cyclopropylmethyl)-1-(4-diethoxyphosphorylbutyl)-3-methyl-purine-2,6-dione Openeye Name: 7-(cyclopropylmethyl)-1-(4-diethoxyphosphorylbutyl)-3-methyl-purine-2,6-dione CAS Name: 7-(cyclopropylmethyl)-1-(4-diethoxyphosphorylbutyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(cyclopropylmethyl)-1-(4-diethoxyphosphorylbutyl)-3-methylpurine-2,6-dione Traditional Name: 7-(cyclopropylmethyl)-1-(4-diethoxyphosphorylbutyl)-3-methyl-xanthine Formula: C18H29N4O5P MolecularWeight: 412.420421

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCN1C(=O)C2=C(N=CN2CC3CC3)N(C1=O)C)OCC

Isomeric SMILES

CCOP(=O)(CCCCN1C(=O)C2=C(N=CN2CC3CC3)N(C1=O)C)OCC

InChI

InChI=1S/C18H29N4O5P/c1-4-26-28(25,27-5-2)11-7-6-10-22-17(23)15-16(20(3)18(22)24)19-13-21(15)12-14-8-9-14/h13-14H,4-12H2,1-3H3