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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-phenoxypropanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3-phenoxypropanoate CAS Name: 3-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 3-phenoxypropanoate Traditional Name: 3-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:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O5/c1-21-13-20-17-16(21)18(25)23(19(26)22(17)2)10-6-11-28-15(24)9-12-27-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3