2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 3-methylsulfonylbenzoate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 3-methylsulfonylbenzoate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C17H18N4O6S/c1-19-14-13(15(22)20(2)17(19)24)21(10-18-14)7-8-27-16(23)11-5-4-6-12(9-11)28(3,25)26/h4-6,9-10H,7-8H2,1-3H3