2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(2-pyridyl)piperazin-1-yl]methyl]-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(2-pyridyl)piperazino]methyl]-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C4=CC=CC=C4S3)C(=O)N2)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C4=CC=CC=C4S3)C(=O)N2)C5=CC=CC=N5

InChI

InChI=1S/C20H19N5OS/c26-19-18-14-5-1-2-6-15(14)27-20(18)23-16(22-19)13-24-9-11-25(12-10-24)17-7-3-4-8-21-17/h1-8H,9-13H2,(H,22,23,26)