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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-ethoxy-3-methoxy-benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C20H24N4O6 MolecularWeight: 416.42776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)OC

InChI

InChI=1S/C20H24N4O6/c1-5-29-14-8-7-13(11-15(14)28-4)19(26)30-10-6-9-24-18(25)16-17(21-12-22(16)2)23(3)20(24)27/h7-8,11-12H,5-6,9-10H2,1-4H3