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

Systemtic Name: 4-[3-ethyl-2,6-bis(oxidanylidene)-7H-purin-1-yl]butylphosphonic acid Openeye Name: 4-(3-ethyl-2,6-dioxo-7H-purin-1-yl)butylphosphonic acid CAS Name: 4-(3-ethyl-2,6-dioxo-7H-purin-1-yl)butylphosphonic acid IUPAC Name: 4-(3-ethyl-2,6-dioxo-7H-purin-1-yl)butylphosphonic acid Traditional Name: 4-(3-ethyl-2,6-diketo-7H-purin-1-yl)butylphosphonic acid Formula: C11H17N4O5P MolecularWeight: 316.250241

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCCCP(=O)(O)O)NC=N2

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCCCP(=O)(O)O)NC=N2

InChI

InChI=1S/C11H17N4O5P/c1-2-14-9-8(12-7-13-9)10(16)15(11(14)17)5-3-4-6-21(18,19)20/h7H,2-6H2,1H3,(H,12,13)(H2,18,19,20)