[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C4=CC=CC=C4O3)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C4=CC=CC=C4O3)C)CCC

InChI

InChI=1S/C23H26N4O5/c1-4-6-12-27-20-18(21(28)25-23(27)30)26(11-5-2)17(24-20)13-31-22(29)19-14(3)15-9-7-8-10-16(15)32-19/h7-10H,4-6,11-13H2,1-3H3,(H,25,28,30)