4-[3-ethyl-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]butylphosphonic acid

Systemtic Name: 4-[3-ethyl-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]butylphosphonic acid Openeye Name: 4-(3-ethyl-2,6-dioxo-7-propyl-purin-1-yl)butylphosphonic acid CAS Name: 4-(3-ethyl-2,6-dioxo-7-propyl-1-purinyl)butylphosphonic acid IUPAC Name: 4-(3-ethyl-2,6-dioxo-7-propylpurin-1-yl)butylphosphonic acid Traditional Name: 4-(3-ethyl-2,6-diketo-7-propyl-purin-1-yl)butylphosphonic acid Formula: C14H23N4O5P MolecularWeight: 358.329981

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCP(=O)(O)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCP(=O)(O)O

InChI

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