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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(methylsulfonylamino)benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(methanesulfonamido)benzoate CAS Name: 2-(methanesulfonamido)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-(methanesulfonamido)benzoate Traditional Name: 2-(methanesulfonamido)benzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C18H21N5O6S MolecularWeight: 435.45424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3NS(=O)(=O)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3NS(=O)(=O)C

InChI

InChI=1S/C18H21N5O6S/c1-21-11-19-15-14(21)16(24)23(18(26)22(15)2)9-6-10-29-17(25)12-7-4-5-8-13(12)20-30(3,27)28/h4-5,7-8,11,20H,6,9-10H2,1-3H3