3-cyclopropyl-1-(4-diethoxyphosphorylbutan-2-yl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-cyclopropyl-1-(4-diethoxyphosphorylbutan-2-yl)-7-propyl-purine-2,6-dione Openeye Name: 3-cyclopropyl-1-(3-diethoxyphosphoryl-1-methyl-propyl)-7-propyl-purine-2,6-dione CAS Name: 3-cyclopropyl-1-(4-diethoxyphosphorylbutan-2-yl)-7-propylpurine-2,6-dione IUPAC Name: 3-cyclopropyl-1-(4-diethoxyphosphorylbutan-2-yl)-7-propylpurine-2,6-dione Traditional Name: 3-cyclopropyl-1-(3-diethoxyphosphoryl-1-methyl-propyl)-7-propyl-xanthine Formula: C19H31N4O5P MolecularWeight: 426.447001

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C3CC3)C(C)CCP(=O)(OCC)OCC

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C3CC3)C(C)CCP(=O)(OCC)OCC

InChI

InChI=1S/C19H31N4O5P/c1-5-11-21-13-20-17-16(21)18(24)22(19(25)23(17)15-8-9-15)14(4)10-12-29(26,27-6-2)28-7-3/h13-15H,5-12H2,1-4H3