1,1-bis(oxidanylidene)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]-1,2-benzothiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]-1,2-benzothiazol-3-one CAS Name: 1,1-dioxo-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]but-2-ynyl]-1,2-benzothiazol-3-one IUPAC Name: 1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[4-[4-(2-pyrimidyl)piperazino]but-2-ynyl]-1,2-benzothiazol-3-one Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#CCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC#CCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4

InChI

InChI=1S/C19H19N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,10-15H2