2-phenoxyethyl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate

Systemtic Name: 2-phenoxyethyl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate Openeye Name: 2-phenoxyethyl 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoate CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionic acid 2-phenoxyethyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O5/c1-20-16-15(17(24)21(2)18(20)25)22(12-19-16)9-8-14(23)27-11-10-26-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3