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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-methylthiophene-2-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 3-methylthiophene-2-carboxylate CAS Name: 3-methyl-2-thiophenecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 3-methylthiophene-2-carboxylate Traditional Name: 3-methylthiophene-2-carboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-4-6-8-22-15-13(16(23)20-18(22)25)21(5-2)12(19-15)10-26-17(24)14-11(3)7-9-27-14/h7,9H,4-6,8,10H2,1-3H3,(H,20,23,25)