6-[(4-chlorophenyl)sulfanylmethyl]-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one Openeye Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one CAS Name: 6-[[(4-chlorophenyl)thio]methyl]-2-(4-phenyl-1-piperazinyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one Traditional Name: 6-[[(4-chlorophenyl)thio]methyl]-2-(4-phenylpiperazino)-1H-pyrimidin-4-one Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4OS/c22-16-6-8-19(9-7-16)28-15-17-14-20(27)24-21(23-17)26-12-10-25(11-13-26)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2,(H,23,24,27)