6-(4-chlorophenyl)-2-[(3-oxidanylidenepiperazin-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 6-(4-chlorophenyl)-2-[(3-oxidanylidenepiperazin-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 6-(4-chlorophenyl)-2-[(3-oxopiperazin-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 6-(4-chlorophenyl)-2-[(3-oxo-1-piperazinyl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 6-(4-chlorophenyl)-2-[(3-oxopiperazin-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 6-(4-chlorophenyl)-2-[(3-ketopiperazino)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=NC(=O)C3=C(N2)C=C(S3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC(=O)N1)CC2=NC(=O)C3=C(N2)C=C(S3)C4=CC=C(C=C4)Cl

InChI

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