[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C22H29N5O5S MolecularWeight: 475.56116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(SC(=C3C)C)NC(=O)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(SC(=C3C)C)NC(=O)C)CCC

InChI

InChI=1S/C22H29N5O5S/c1-6-8-10-27-18-17(19(29)25-22(27)31)26(9-7-2)15(24-18)11-32-21(30)16-12(3)13(4)33-20(16)23-14(5)28/h6-11H2,1-5H3,(H,23,28)(H,25,29,31)