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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-methanoylbenzoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 4-formylbenzoate CAS Name: 4-formylbenzoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 4-formylbenzoate Traditional Name: 4-formylbenzoic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5/c1-3-5-10-24-17-16(18(26)22-20(24)28)23(4-2)15(21-17)12-29-19(27)14-8-6-13(11-25)7-9-14/h6-9,11H,3-5,10,12H2,1-2H3,(H,22,26,28)