2-(4-phenylpiperazin-1-yl)-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-(4-phenylpiperazin-1-yl)-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-(4-phenylpiperazin-1-yl)-6-(2-pyridylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-(4-phenyl-1-piperazinyl)-6-[(2-pyridinylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-phenylpiperazin-1-yl)-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-phenylpiperazino)-6-[(2-pyridylthio)methyl]-1H-pyrimidin-4-one Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C=C(N3)CSC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C=C(N3)CSC4=CC=CC=N4

InChI

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