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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[[7-(4-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetamide Formula: C23H21ClFN5O3S MolecularWeight: 501.960943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H21ClFN5O3S/c1-13-16(24)5-4-6-17(13)26-18(31)12-34-22-27-20-19(21(32)29(3)23(33)28(20)2)30(22)11-14-7-9-15(25)10-8-14/h4-10H,11-12H2,1-3H3,(H,26,31)