3-cyclopropyl-1-(dimethylphosphorylmethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-cyclopropyl-1-(dimethylphosphorylmethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-cyclopropyl-1-(dimethylphosphorylmethyl)-7-propyl-purine-2,6-dione CAS Name: 3-cyclopropyl-1-(dimethylphosphorylmethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-cyclopropyl-1-(dimethylphosphorylmethyl)-7-propylpurine-2,6-dione Traditional Name: 3-cyclopropyl-1-(dimethylphosphorylmethyl)-7-propyl-xanthine Formula: C14H21N4O3P MolecularWeight: 324.315301

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C3CC3)CP(=O)(C)C

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C3CC3)CP(=O)(C)C

InChI

InChI=1S/C14H21N4O3P/c1-4-7-16-8-15-12-11(16)13(19)17(9-22(2,3)21)14(20)18(12)10-5-6-10/h8,10H,4-7,9H2,1-3H3