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

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]ethyl thiophene-2-carboxylate Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]ethyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]ethyl ester IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]ethyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)amino]ethyl ester Formula: C14H15N5O4S MolecularWeight: 349.365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O4S/c1-18-10-9(11(20)19(2)14(18)22)16-13(17-10)15-5-6-23-12(21)8-4-3-7-24-8/h3-4,7H,5-6H2,1-2H3,(H2,15,16,17)