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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-phenoxypropanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-phenoxypropanoate CAS Name: 2-phenoxypropanoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-phenoxypropanoate Traditional Name: 2-phenoxypropionic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O5/c1-13(28-14-8-5-4-6-9-14)18(25)27-11-7-10-23-17(24)15-16(20-12-21(15)2)22(3)19(23)26/h4-6,8-9,12-13H,7,10-11H2,1-3H3