2-(4-phenylpiperazin-1-yl)-6-[pyridin-2-yl(sulfanyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-(4-phenylpiperazin-1-yl)-6-[pyridin-2-yl(sulfanyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-(4-phenylpiperazin-1-yl)-6-[2-pyridyl(sulfanyl)methyl]-1H-pyrimidin-4-one CAS Name: 6-[mercapto(2-pyridinyl)methyl]-2-(4-phenyl-1-piperazinyl)-1H-pyrimidin-4-one IUPAC Name: 2-(4-phenylpiperazin-1-yl)-6-[pyridin-2-yl(sulfanyl)methyl]-1H-pyrimidin-4-one Traditional Name: 6-[mercapto(2-pyridyl)methyl]-2-(4-phenylpiperazino)-1H-pyrimidin-4-one Formula: C20H21N5OS MolecularWeight: 379.47864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C=C(N3)C(C4=CC=CC=N4)S

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C=C(N3)C(C4=CC=CC=N4)S

InChI

InChI=1S/C20H21N5OS/c26-18-14-17(19(27)16-8-4-5-9-21-16)22-20(23-18)25-12-10-24(11-13-25)15-6-2-1-3-7-15/h1-9,14,19,27H,10-13H2,(H,22,23,26)