2-[[4-(4-chloranyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(4-chloranyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(4-chloro-2-hydroxy-benzoyl)piperazin-1-yl]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-[(4-chloro-2-hydroxyphenyl)-oxomethyl]-1-piperazinyl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(4-chloro-2-hydroxy-benzoyl)piperazino]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H19ClN4O3S2 MolecularWeight: 486.99426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O3S2/c23-13-3-4-14(16(28)10-13)22(30)27-7-5-26(6-8-27)11-18-24-20(29)19-15(12-32-21(19)25-18)17-2-1-9-31-17/h1-4,9-10,12,28H,5-8,11H2,(H,24,25,29)