5-methoxy-2-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one

Systemtic Name: 5-methoxy-2-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one Openeye Name: 2-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5-methoxy-1,2-benzothiazol-3-one CAS Name: 2-[2-hydroxy-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-5-methoxy-1,2-benzothiazol-3-one IUPAC Name: 2-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5-methoxy-1,2-benzothiazol-3-one Traditional Name: 2-[2-hydroxy-3-[4-(2-pyrimidyl)piperazino]propyl]-5-methoxy-1,2-benzothiazol-3-one Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SN(C2=O)CC(CN3CCN(CC3)C4=NC=CC=N4)O

Isomeric SMILES

COC1=CC2=C(C=C1)SN(C2=O)CC(CN3CCN(CC3)C4=NC=CC=N4)O

InChI

InChI=1S/C19H23N5O3S/c1-27-15-3-4-17-16(11-15)18(26)24(28-17)13-14(25)12-22-7-9-23(10-8-22)19-20-5-2-6-21-19/h2-6,11,14,25H,7-10,12-13H2,1H3