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

Systemtic Name: 3-[3-methyl-2,6-bis(oxidanylidene)-7H-purin-1-yl]propylphosphonic acid Openeye Name: 3-(3-methyl-2,6-dioxo-7H-purin-1-yl)propylphosphonic acid CAS Name: 3-(3-methyl-2,6-dioxo-7H-purin-1-yl)propylphosphonic acid IUPAC Name: 3-(3-methyl-2,6-dioxo-7H-purin-1-yl)propylphosphonic acid Traditional Name: 3-(2,6-diketo-3-methyl-7H-purin-1-yl)propylphosphonic acid Formula: C9H13N4O5P MolecularWeight: 288.197081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N4O5P/c1-12-7-6(10-5-11-7)8(14)13(9(12)15)3-2-4-19(16,17)18/h5H,2-4H2,1H3,(H,10,11)(H2,16,17,18)