2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]ethyl 4-phenoxybenzoate

Systemtic Name: 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]ethyl 4-phenoxybenzoate Openeye Name: 2-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]ethyl 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic acid 2-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]ethyl ester IUPAC Name: 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]ethyl 4-phenoxybenzoate Traditional Name: 4-phenoxybenzoic acid 2-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]ethyl ester Formula: C24H23N5O6 MolecularWeight: 477.46932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCCOC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCCOC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H23N5O6/c1-27-21-20(22(31)28(2)24(27)33)29(15-26-21)14-19(30)25-12-13-34-23(32)16-8-10-18(11-9-16)35-17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3,(H,25,30)