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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-ethoxybenzoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic 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-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC=C3OCC)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC=C3OCC)C

InChI

InChI=1S/C20H24N4O5/c1-4-6-11-24-17-16(18(25)22-20(24)27)23(3)15(21-17)12-29-19(26)13-9-7-8-10-14(13)28-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,22,25,27)