6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4-phenyl-1-piperazinyl)-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4-phenylpiperazino)-1H-pyrimidin-4-one Formula: C22H21N5OS2 MolecularWeight: 435.56504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N5OS2/c28-20-14-16(15-29-22-24-18-8-4-5-9-19(18)30-22)23-21(25-20)27-12-10-26(11-13-27)17-6-2-1-3-7-17/h1-9,14H,10-13,15H2,(H,23,25,28)