3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-methoxy-4-phenylmethoxy-benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-benzyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-phenylmethoxybenzoic 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-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-methoxy-benzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C25H26N4O6 MolecularWeight: 478.49714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H26N4O6/c1-27-16-26-22-21(27)23(30)29(25(32)28(22)2)12-7-13-34-24(31)18-10-11-19(20(14-18)33-3)35-15-17-8-5-4-6-9-17/h4-6,8-11,14,16H,7,12-13,15H2,1-3H3