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

Systemtic Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(2-pyrimidyl)piperazino]methyl]-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6OS/c26-17-16-13-4-1-2-5-14(13)27-18(16)23-15(22-17)12-24-8-10-25(11-9-24)19-20-6-3-7-21-19/h1-7H,8-12H2,(H,22,23,26)