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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-(methylsulfonylamino)thiophene-2-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3-(methanesulfonamido)thiophene-2-carboxylate CAS Name: 3-(methanesulfonamido)-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 3-(methanesulfonamido)thiophene-2-carboxylate Traditional Name: 3-(methanesulfonamido)thiophene-2-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C16H19N5O6S2 MolecularWeight: 441.48196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O6S2/c1-19-9-17-13-11(19)14(22)21(16(24)20(13)2)6-4-7-27-15(23)12-10(5-8-28-12)18-29(3,25)26/h5,8-9,18H,4,6-7H2,1-3H3