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

Systemtic Name: 4-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]butylphosphonic acid Openeye Name: 4-(3-methyl-2,6-dioxo-purin-7-yl)butylphosphonic acid CAS Name: 4-(3-methyl-2,6-dioxo-7-purinyl)butylphosphonic acid IUPAC Name: 4-(3-methyl-2,6-dioxopurin-7-yl)butylphosphonic acid Traditional Name: 4-(2,6-diketo-3-methyl-purin-7-yl)butylphosphonic acid Formula: C10H15N4O5P MolecularWeight: 302.223661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCCP(=O)(O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCCP(=O)(O)O

InChI

InChI=1S/C10H15N4O5P/c1-13-8-7(9(15)12-10(13)16)14(6-11-8)4-2-3-5-20(17,18)19/h6H,2-5H2,1H3,(H,12,15,16)(H2,17,18,19)