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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-thiophen-2-ylcarbonylbenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(thiophene-2-carbonyl)benzoate CAS Name: 2-[oxo(thiophen-2-yl)methyl]benzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-(thiophene-2-carbonyl)benzoate Traditional Name: 2-(2-thenoyl)benzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

InChI

InChI=1S/C22H20N4O5S/c1-24-13-23-19-17(24)20(28)26(22(30)25(19)2)10-6-11-31-21(29)15-8-4-3-7-14(15)18(27)16-9-5-12-32-16/h3-5,7-9,12-13H,6,10-11H2,1-2H3