2-[(3-fluorophenyl)methyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(3-fluorophenyl)methyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-[(3-fluorophenyl)methyl]-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-[(3-fluorophenyl)methyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(3-fluorophenyl)methyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-(3-fluorobenzyl)-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C17H11FN2OS MolecularWeight: 310.345443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)C(=O)N=C(N3)CC4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)C(=O)N=C(N3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C17H11FN2OS/c18-11-5-3-4-10(8-11)9-14-19-15-12-6-1-2-7-13(12)22-16(15)17(21)20-14/h1-8H,9H2,(H,19,20,21)