3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pteridin-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pteridin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pteridin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylthio]-4-pteridinone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pteridin-4-one Traditional Name: 2-[(2-fluorobenzyl)thio]-3-homoveratryl-pteridin-4-one Formula: C23H21FN4O3S MolecularWeight: 452.501243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC4=CC=CC=C4F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC4=CC=CC=C4F)OC

InChI

InChI=1S/C23H21FN4O3S/c1-30-18-8-7-15(13-19(18)31-2)9-12-28-22(29)20-21(26-11-10-25-20)27-23(28)32-14-16-5-3-4-6-17(16)24/h3-8,10-11,13H,9,12,14H2,1-2H3