3,7-dibutyl-1-(3-phosphonatopropyl)purine-2,6-dione

Systemtic Name: 3,7-dibutyl-1-(3-phosphonatopropyl)purine-2,6-dione Openeye Name: 3,7-dibutyl-1-(3-phosphonatopropyl)purine-2,6-dione CAS Name: 3,7-dibutyl-1-(3-phosphonatopropyl)purine-2,6-dione IUPAC Name: 3,7-dibutyl-1-(3-phosphonatopropyl)purine-2,6-dione Traditional Name: 3,7-dibutyl-1-(3-phosphonatopropyl)xanthine Formula: C16H25N4O5P-2 MolecularWeight: 384.367261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CCCP(=O)([O-])[O-]

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CCCP(=O)([O-])[O-]

InChI

InChI=1S/C16H27N4O5P/c1-3-5-8-18-12-17-14-13(18)15(21)20(10-7-11-26(23,24)25)16(22)19(14)9-6-4-2/h12H,3-11H2,1-2H3,(H2,23,24,25)/p-2