2-(azepan-1-ylmethyl)-6-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-(azepan-1-ylmethyl)-6-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-(azepan-1-ylmethyl)-6-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-(1-azepanylmethyl)-6-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-(azepan-1-ylmethyl)-6-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(azepan-1-ylmethyl)-6-(4-fluorophenyl)-1H-thieno[3,2-d]pyrimidin-4-one Formula: C19H20FN3OS MolecularWeight: 357.445003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=NC(=O)C3=C(N2)C=C(S3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)CC2=NC(=O)C3=C(N2)C=C(S3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H20FN3OS/c20-14-7-5-13(6-8-14)16-11-15-18(25-16)19(24)22-17(21-15)12-23-9-3-1-2-4-10-23/h5-8,11H,1-4,9-10,12H2,(H,21,22,24)