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

Systemtic Name: 3-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]propylphosphonic acid Openeye Name: 3-(7-benzyl-3-methyl-2,6-dioxo-purin-1-yl)propylphosphonic acid CAS Name: 3-[3-methyl-2,6-dioxo-7-(phenylmethyl)-1-purinyl]propylphosphonic acid IUPAC Name: 3-(7-benzyl-3-methyl-2,6-dioxopurin-1-yl)propylphosphonic acid Traditional Name: 3-(7-benzyl-2,6-diketo-3-methyl-purin-1-yl)propylphosphonic acid Formula: C16H19N4O5P MolecularWeight: 378.319621

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCP(=O)(O)O)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCP(=O)(O)O)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C16H19N4O5P/c1-18-14-13(19(11-17-14)10-12-6-3-2-4-7-12)15(21)20(16(18)22)8-5-9-26(23,24)25/h2-4,6-7,11H,5,8-10H2,1H3,(H2,23,24,25)