6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-[4-(3-methoxyphenyl)-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-[4-(3-methoxyphenyl)piperazino]-1H-pyrimidin-4-one Formula: C23H23N5O2S2 MolecularWeight: 465.59102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H23N5O2S2/c1-30-18-6-4-5-17(14-18)27-9-11-28(12-10-27)22-24-16(13-21(29)26-22)15-31-23-25-19-7-2-3-8-20(19)32-23/h2-8,13-14H,9-12,15H2,1H3,(H,24,26,29)