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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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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)CSC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5S/c1-4-5-10-26-19-17(20(27)24-22(26)29)25(2)16(23-19)11-30-21(28)18-14(12-32-3)13-8-6-7-9-15(13)31-18/h6-9H,4-5,10-12H2,1-3H3,(H,24,27,29)