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

Systemtic Name: 5-(4-chlorophenyl)-2-[(3-oxidanylidenepiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-2-[(3-oxo-1-piperazinyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-chlorophenyl)-2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-2-[(3-ketopiperazino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O2S/c18-11-3-1-10(2-4-11)12-9-25-17-15(12)16(24)20-13(21-17)7-22-6-5-19-14(23)8-22/h1-4,9H,5-8H2,(H,19,23)(H,20,21,24)