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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCP(=O)(O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCP(=O)(O)O

InChI

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