3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(5-ethanoyl-2-methoxy-phenyl)ethanoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(5-ethanoyl-2-methoxy-phenyl)ethanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(5-acetyl-2-methoxy-phenyl)acetate CAS Name: 2-(5-acetyl-2-methoxyphenyl)acetic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-(5-acetyl-2-methoxyphenyl)acetate Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)acetic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O6/c1-13(26)14-6-7-16(30-4)15(10-14)11-17(27)31-9-5-8-25-20(28)18-19(22-12-23(18)2)24(3)21(25)29/h6-7,10,12H,5,8-9,11H2,1-4H3