[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-(furan-2-ylcarbonylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-(furan-2-ylcarbonylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 5-(furan-2-carbonylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-furanyl(oxo)methyl]amino]-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 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate Traditional Name: 5-(2-furoylamino)-3-methyl-thiophene-2-carboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C23H25N5O6S MolecularWeight: 499.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C=C(S3)NC(=O)C4=CC=CO4)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C=C(S3)NC(=O)C4=CC=CO4)C)CC

InChI

InChI=1S/C23H25N5O6S/c1-4-6-9-28-19-17(21(30)26-23(28)32)27(5-2)15(24-19)12-34-22(31)18-13(3)11-16(35-18)25-20(29)14-8-7-10-33-14/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,25,29)(H,26,30,32)