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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: N-(4-fluorophenyl)-2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: N-(4-fluorophenyl)-2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C18H20FN5O3S MolecularWeight: 405.446503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)F)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)F)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H20FN5O3S/c1-10(2)24-14-15(22(3)18(27)23(4)16(14)26)21-17(24)28-9-13(25)20-12-7-5-11(19)6-8-12/h5-8,10H,9H2,1-4H3,(H,20,25)