1-(1-diethoxyphosphorylpentan-3-yl)-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-(1-diethoxyphosphorylpentan-3-yl)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1-(3-diethoxyphosphoryl-1-ethyl-propyl)-3-methyl-purine-2,6-dione CAS Name: 1-(1-diethoxyphosphorylpentan-3-yl)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1-(1-diethoxyphosphorylpentan-3-yl)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-1-(3-diethoxyphosphoryl-1-ethyl-propyl)-3-methyl-xanthine Formula: C22H31N4O5P MolecularWeight: 462.479101

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCP(=O)(OCC)OCC)N1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C

Isomeric SMILES

CCC(CCP(=O)(OCC)OCC)N1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C

InChI

InChI=1S/C22H31N4O5P/c1-5-18(13-14-32(29,30-6-2)31-7-3)26-21(27)19-20(24(4)22(26)28)23-16-25(19)15-17-11-9-8-10-12-17/h8-12,16,18H,5-7,13-15H2,1-4H3