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

Systemtic Name: 7-(3-phosphonatopropyl)-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-(3-phosphonatopropyl)-1,3-dipropyl-purine-2,6-dione CAS Name: 7-(3-phosphonatopropyl)-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-(3-phosphonatopropyl)-1,3-dipropylpurine-2,6-dione Traditional Name: 7-(3-phosphonatopropyl)-1,3-dipropyl-xanthine Formula: C14H21N4O5P-2 MolecularWeight: 356.314101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)CCCP(=O)([O-])[O-]

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)CCCP(=O)([O-])[O-]

InChI

InChI=1S/C14H23N4O5P/c1-3-6-17-12-11(13(19)18(7-4-2)14(17)20)16(10-15-12)8-5-9-24(21,22)23/h10H,3-9H2,1-2H3,(H2,21,22,23)/p-2