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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl thiophene-2-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CS3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CS3

InChI

InChI=1S/C15H16N4O4S/c1-17-9-16-12-11(17)13(20)19(15(22)18(12)2)6-4-7-23-14(21)10-5-3-8-24-10/h3,5,8-9H,4,6-7H2,1-2H3