2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-3-pyridin-3-yl-quinazolin-4-one

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-3-pyridin-3-yl-quinazolin-4-one Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-3-(3-pyridyl)quinazolin-4-one CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylthio]-3-(3-pyridinyl)-4-quinazolinone IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridin-3-ylquinazolin-4-one Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-3-(3-pyridyl)quinazolin-4-one Formula: C21H16FN3O2S MolecularWeight: 393.434043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4)F

InChI

InChI=1S/C21H16FN3O2S/c1-27-19-9-8-14(11-17(19)22)13-28-21-24-18-7-3-2-6-16(18)20(26)25(21)15-5-4-10-23-12-15/h2-12H,13H2,1H3