[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-methylthiophene-2-carboxylate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-methylthiophene-2-carboxylate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 5-methylthiophene-2-carboxylate CAS Name: 5-methyl-2-thiophenecarboxylic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 5-methylthiophene-2-carboxylate Traditional Name: 5-methylthiophene-2-carboxylic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-4-5-8-21-14-13(15(22)19-17(21)24)20(3)12(18-14)9-25-16(23)11-7-6-10(2)26-11/h6-7H,4-5,8-9H2,1-3H3,(H,19,22,24)