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

Systemtic Name: [3-butyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]methyl thiophene-2-carboxylate Openeye Name: (3-butyl-7-isopentyl-2,6-dioxo-purin-8-yl)methyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic 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 thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (3-butyl-7-isoamyl-2,6-diketo-purin-8-yl)methyl ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CS3)CCC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CS3)CCC(C)C

InChI

InChI=1S/C20H26N4O4S/c1-4-5-9-24-17-16(18(25)22-20(24)27)23(10-8-13(2)3)15(21-17)12-28-19(26)14-7-6-11-29-14/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,22,25,27)