5-[3-methyl-2,6-bis(oxidanylidene)-7H-purin-1-yl]pentylphosphonic acid

Systemtic Name: 5-[3-methyl-2,6-bis(oxidanylidene)-7H-purin-1-yl]pentylphosphonic acid Openeye Name: 5-(3-methyl-2,6-dioxo-7H-purin-1-yl)pentylphosphonic acid CAS Name: 5-(3-methyl-2,6-dioxo-7H-purin-1-yl)pentylphosphonic acid IUPAC Name: 5-(3-methyl-2,6-dioxo-7H-purin-1-yl)pentylphosphonic acid Traditional Name: 5-(2,6-diketo-3-methyl-7H-purin-1-yl)pentylphosphonic acid Formula: C11H17N4O5P MolecularWeight: 316.250241

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCCCP(=O)(O)O)NC=N2

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCCCP(=O)(O)O)NC=N2

InChI

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