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

Systemtic Name: [3-butyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-methanoylbenzoate Openeye Name: (3-butyl-7-isopentyl-2,6-dioxo-purin-8-yl)methyl 4-formylbenzoate CAS Name: 4-formylbenzoic acid [3-butyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]methyl ester IUPAC Name: [3-butyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]methyl 4-formylbenzoate Traditional Name: 4-formylbenzoic acid (3-butyl-7-isoamyl-2,6-diketo-purin-8-yl)methyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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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)CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5/c1-4-5-11-27-20-19(21(29)25-23(27)31)26(12-10-15(2)3)18(24-20)14-32-22(30)17-8-6-16(13-28)7-9-17/h6-9,13,15H,4-5,10-12,14H2,1-3H3,(H,25,29,31)