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

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: 2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide CAS Name: 2-[[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-(2,4-difluorophenyl)acetamide IUPAC Name: 2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide Traditional Name: 2-[[7-(4-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-(2,4-difluorophenyl)acetamide Formula: C22H18ClF2N5O3S MolecularWeight: 505.924826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3)F)F)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3)F)F)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClF2N5O3S/c1-28-19-18(20(32)29(2)22(28)33)30(10-12-3-5-13(23)6-4-12)21(27-19)34-11-17(31)26-16-8-7-14(24)9-15(16)25/h3-9H,10-11H2,1-2H3,(H,26,31)