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

Systemtic Name: 2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[[7-(4-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-mesityl-acetamide Formula: C25H26FN5O3S MolecularWeight: 495.569043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C25H26FN5O3S/c1-14-10-15(2)20(16(3)11-14)27-19(32)13-35-24-28-22-21(23(33)30(5)25(34)29(22)4)31(24)12-17-6-8-18(26)9-7-17/h6-11H,12-13H2,1-5H3,(H,27,32)