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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl thiophene-3-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl thiophene-3-carboxylate CAS Name: 3-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-3-carboxylate Traditional Name: thiophene-3-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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O4S/c1-17-9-16-12-11(17)13(20)19(15(22)18(12)2)5-3-6-23-14(21)10-4-7-24-8-10/h4,7-9H,3,5-6H2,1-2H3