3-[2,6-bis(oxidanylidene)-1,3-dipropyl-purin-7-yl]propylphosphonic acid

Systemtic Name: 3-[2,6-bis(oxidanylidene)-1,3-dipropyl-purin-7-yl]propylphosphonic acid Openeye Name: 3-(2,6-dioxo-1,3-dipropyl-purin-7-yl)propylphosphonic acid CAS Name: 3-(2,6-dioxo-1,3-dipropyl-7-purinyl)propylphosphonic acid IUPAC Name: 3-(2,6-dioxo-1,3-dipropylpurin-7-yl)propylphosphonic acid Traditional Name: 3-(2,6-diketo-1,3-dipropyl-purin-7-yl)propylphosphonic acid Formula: C14H23N4O5P MolecularWeight: 358.329981

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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)