N-[4-[2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoyl]phenyl]ethanamide Openeye Name: N-[4-[2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylacetyl]phenyl]acetamide CAS Name: N-[4-[2-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-1-oxoethyl]phenyl]acetamide IUPAC Name: N-[4-[2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetyl]phenyl]acetamide Traditional Name: N-[4-[2-[[7-(4-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetyl]phenyl]acetamide Formula: C24H22FN5O4S MolecularWeight: 495.525983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C24H22FN5O4S/c1-14(31)26-18-10-6-16(7-11-18)19(32)13-35-23-27-21-20(22(33)29(3)24(34)28(21)2)30(23)12-15-4-8-17(25)9-5-15/h4-11H,12-13H2,1-3H3,(H,26,31)