3-[2,6-bis(oxidanylidene)-7-propan-2-yl-3H-purin-1-yl]propylphosphonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1C(=O)N(C(=O)N2)CCCP(=O)(O)O

Isomeric SMILES

CC(C)N1C=NC2=C1C(=O)N(C(=O)N2)CCCP(=O)(O)O

InChI

InChI=1S/C11H17N4O5P/c1-7(2)15-6-12-9-8(15)10(16)14(11(17)13-9)4-3-5-21(18,19)20/h6-7H,3-5H2,1-2H3,(H,13,17)(H2,18,19,20)