2-(azepan-1-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(azepan-1-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(azepan-1-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1-azepanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(azepan-1-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(azepan-1-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1CCCN(CC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C19H21N3OS/c23-18-17-15(14-8-4-3-5-9-14)13-24-19(17)21-16(20-18)12-22-10-6-1-2-7-11-22/h3-5,8-9,13H,1-2,6-7,10-12H2,(H,20,21,23)