[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-oxidanyl-propyl] 4-phenylmethoxybenzoate

Systemtic Name: [3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-oxidanyl-propyl] 4-phenylmethoxybenzoate Openeye Name: [3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-hydroxy-propyl] 4-benzyloxybenzoate CAS Name: 4-phenylmethoxybenzoic acid [3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-2-hydroxypropyl] ester IUPAC Name: [3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl] 4-phenylmethoxybenzoate Traditional Name: 4-benzoxybenzoic acid [3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-2-hydroxy-propyl] ester Formula: C24H24N4O6 MolecularWeight: 464.47056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C24H24N4O6/c1-26-21-20(22(30)27(2)24(26)32)28(15-25-21)12-18(29)14-34-23(31)17-8-10-19(11-9-17)33-13-16-6-4-3-5-7-16/h3-11,15,18,29H,12-14H2,1-2H3