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

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(3-chlorophenyl)piperazino]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H19ClN4OS2 MolecularWeight: 442.98476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C21H19ClN4OS2/c22-14-3-1-4-15(11-14)26-8-6-25(7-9-26)12-18-23-20(27)19-16(13-29-21(19)24-18)17-5-2-10-28-17/h1-5,10-11,13H,6-9,12H2,(H,23,24,27)