[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(3,4-dimethoxyphenyl)ethanoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C21H26N4O6/c1-5-6-9-25-19-18(20(27)23-21(25)28)24(2)16(22-19)12-31-17(26)11-13-7-8-14(29-3)15(10-13)30-4/h7-8,10H,5-6,9,11-12H2,1-4H3,(H,23,27,28)