[5-[2,6-bis(oxidanylidene)-3H-purin-9-yl]pentyl-oxidanyl-phosphoryl]methylphosphonic acid

Systemtic Name: [5-[2,6-bis(oxidanylidene)-3H-purin-9-yl]pentyl-oxidanyl-phosphoryl]methylphosphonic acid Openeye Name: [5-(2,6-dioxo-3H-purin-9-yl)pentyl-hydroxy-phosphoryl]methylphosphonic acid CAS Name: [5-(2,6-dioxo-3H-purin-9-yl)pentyl-hydroxyphosphoryl]methylphosphonic acid IUPAC Name: [5-(2,6-dioxo-3H-purin-9-yl)pentyl-hydroxyphosphoryl]methylphosphonic acid Traditional Name: [5-(2,6-diketo-3H-purin-9-yl)pentyl-hydroxy-phosphoryl]methylphosphonic acid Formula: C11H18N4O7P2 MolecularWeight: 380.230742

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCCCP(=O)(CP(=O)(O)O)O)NC(=O)NC2=O

Isomeric SMILES

C1=NC2=C(N1CCCCCP(=O)(CP(=O)(O)O)O)NC(=O)NC2=O

InChI

InChI=1S/C11H18N4O7P2/c16-10-8-9(13-11(17)14-10)15(6-12-8)4-2-1-3-5-23(18,19)7-24(20,21)22/h6H,1-5,7H2,(H,18,19)(H2,20,21,22)(H2,13,14,16,17)