2-[(3-oxidanylidenepiperazin-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3-oxidanylidenepiperazin-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-oxopiperazin-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-oxo-1-piperazinyl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-oxopiperazin-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3-ketopiperazino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1CN(CC(=O)N1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C17H16N4O2S/c22-14-9-21(7-6-18-14)8-13-19-16(23)15-12(10-24-17(15)20-13)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,18,22)(H,19,20,23)