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

Systemtic Name: 3-cyclopropyl-1-(4-phosphonatobutan-2-yl)-7-propyl-purine-2,6-dione Openeye Name: 3-cyclopropyl-1-(1-methyl-3-phosphonato-propyl)-7-propyl-purine-2,6-dione CAS Name: 3-cyclopropyl-1-(4-phosphonatobutan-2-yl)-7-propylpurine-2,6-dione IUPAC Name: 3-cyclopropyl-1-(4-phosphonatobutan-2-yl)-7-propylpurine-2,6-dione Traditional Name: 3-cyclopropyl-1-(1-methyl-3-phosphonato-propyl)-7-propyl-xanthine Formula: C15H21N4O5P-2 MolecularWeight: 368.324801

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C3CC3)C(C)CCP(=O)([O-])[O-]

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C3CC3)C(C)CCP(=O)([O-])[O-]

InChI

InChI=1S/C15H23N4O5P/c1-3-7-17-9-16-13-12(17)14(20)18(10(2)6-8-25(22,23)24)15(21)19(13)11-4-5-11/h9-11H,3-8H2,1-2H3,(H2,22,23,24)/p-2