N-(5-chloranyl-2-methoxy-phenyl)-2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[[7-(4-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetamide Formula: C23H21ClFN5O4S MolecularWeight: 517.960343

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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=CC(=C3)Cl)OC)CC4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClFN5O4S/c1-28-20-19(21(32)29(2)23(28)33)30(11-13-4-7-15(25)8-5-13)22(27-20)35-12-18(31)26-16-10-14(24)6-9-17(16)34-3/h4-10H,11-12H2,1-3H3,(H,26,31)