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

Systemtic Name: 6-(4-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 6-(4-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 6-(4-chlorophenyl)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 6-(4-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 6-(4-chlorophenyl)-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C21H20ClN6OS+ MolecularWeight: 439.9411

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=C(S3)C4=CC=C(C=C4)Cl)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=C(S3)C4=CC=C(C=C4)Cl)C5=NC=CC=N5

InChI

InChI=1S/C21H19ClN6OS/c22-15-4-2-14(3-5-15)17-12-16-19(30-17)20(29)26-18(25-16)13-27-8-10-28(11-9-27)21-23-6-1-7-24-21/h1-7,12H,8-11,13H2,(H,25,26,29)/p+1