[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2,5-dimethylbenzoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2,5-dimethylbenzoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4/c1-5-6-9-24-17-16(18(25)22-20(24)27)23(4)15(21-17)11-28-19(26)14-10-12(2)7-8-13(14)3/h7-8,10H,5-6,9,11H2,1-4H3,(H,22,25,27)