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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 3-(phenylsulfonylamino)propanoate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 3-(benzenesulfonamido)propanoate CAS Name: 3-(benzenesulfonamido)propanoic 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-(benzenesulfonamido)propanoate Traditional Name: 3-(benzenesulfonamido)propionic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C18H21N5O6S MolecularWeight: 435.45424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O6S/c1-21-16-15(17(25)22(2)18(21)26)23(12-19-16)10-11-29-14(24)8-9-20-30(27,28)13-6-4-3-5-7-13/h3-7,12,20H,8-11H2,1-2H3