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

Systemtic Name: 6-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-phenyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H22N5OS+ MolecularWeight: 404.50798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H21N5OS/c28-21-17-14-18(16-6-2-1-3-7-16)29-22(17)25-19(24-21)15-26-10-12-27(13-11-26)20-8-4-5-9-23-20/h1-9,14H,10-13,15H2,(H,24,25,28)/p+1