2-[2-[8-tert-butyl-2,6-bis(oxidanylidene)-1-propyl-7H-purin-3-yl]ethylsulfonyl]ethyl ethanoate

Systemtic Name: 2-[2-[8-tert-butyl-2,6-bis(oxidanylidene)-1-propyl-7H-purin-3-yl]ethylsulfonyl]ethyl ethanoate Openeye Name: 2-[2-(8-tert-butyl-2,6-dioxo-1-propyl-7H-purin-3-yl)ethylsulfonyl]ethyl acetate CAS Name: acetic acid 2-[2-(8-tert-butyl-2,6-dioxo-1-propyl-7H-purin-3-yl)ethylsulfonyl]ethyl ester IUPAC Name: 2-[2-(8-tert-butyl-2,6-dioxo-1-propyl-7H-purin-3-yl)ethylsulfonyl]ethyl acetate Traditional Name: acetic acid 2-[2-(8-tert-butyl-2,6-diketo-1-propyl-7H-purin-3-yl)ethylsulfonyl]ethyl ester Formula: C18H28N4O6S MolecularWeight: 428.50312

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C(C)(C)C)N(C1=O)CCS(=O)(=O)CCOC(=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C(C)(C)C)N(C1=O)CCS(=O)(=O)CCOC(=O)C

InChI

InChI=1S/C18H28N4O6S/c1-6-7-22-15(24)13-14(20-16(19-13)18(3,4)5)21(17(22)25)8-10-29(26,27)11-9-28-12(2)23/h6-11H2,1-5H3,(H,19,20)