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

Systemtic Name: 2-[(4-phenylpiperazin-1-yl)methyl]-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-phenylpiperazin-1-yl)methyl]-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-phenyl-1-piperazinyl)methyl]-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-phenylpiperazin-1-yl)methyl]-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-phenylpiperazino)methyl]-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS/c26-20-19-16-8-4-5-9-17(16)27-21(19)23-18(22-20)14-24-10-12-25(13-11-24)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,22,23,26)