3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]propyl thiophene-2-carboxylate

Systemtic Name: 3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]propyl thiophene-2-carboxylate Openeye Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]propyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]propyl ester IUPAC Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]propyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 3-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)amino]propyl ester Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCCOC(=O)C3=CC=CS3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCCOC(=O)C3=CC=CS3

InChI

InChI=1S/C15H17N5O4S/c1-19-11-10(12(21)20(2)15(19)23)17-14(18-11)16-6-4-7-24-13(22)9-5-3-8-25-9/h3,5,8H,4,6-7H2,1-2H3,(H2,16,17,18)