N-tert-butyl-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[7-(2-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetamide Formula: C20H24FN5O3S MolecularWeight: 433.499663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3F)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3F)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H24FN5O3S/c1-20(2,3)23-14(27)11-30-18-22-16-15(17(28)25(5)19(29)24(16)4)26(18)10-12-8-6-7-9-13(12)21/h6-9H,10-11H2,1-5H3,(H,23,27)