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

Systemtic Name: 6-(4-methoxyphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 6-(4-methoxyphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 6-(4-methoxyphenyl)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 6-(4-methoxyphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 6-(4-methoxyphenyl)-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C22H23N6O2S+ MolecularWeight: 435.52202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N=C(N3)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N=C(N3)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C22H22N6O2S/c1-30-16-5-3-15(4-6-16)18-13-17-20(31-18)21(29)26-19(25-17)14-27-9-11-28(12-10-27)22-23-7-2-8-24-22/h2-8,13H,9-12,14H2,1H3,(H,25,26,29)/p+1