2-[(3-fluorophenyl)methylsulfanyl]-3-phenethyl-pteridin-4-one

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-phenethyl-pteridin-4-one Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-phenethyl-pteridin-4-one CAS Name: 2-[(3-fluorophenyl)methylthio]-3-phenethyl-4-pteridinone IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-phenethylpteridin-4-one Traditional Name: 2-[(3-fluorobenzyl)thio]-3-phenethyl-pteridin-4-one Formula: C21H17FN4OS MolecularWeight: 392.449283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC4=CC(=CC=C4)F

InChI

InChI=1S/C21H17FN4OS/c22-17-8-4-7-16(13-17)14-28-21-25-19-18(23-10-11-24-19)20(27)26(21)12-9-15-5-2-1-3-6-15/h1-8,10-11,13H,9,12,14H2