1,1-bis(oxidanylidene)-2-[4-[4-(5-oxidanylpyrimidin-2-yl)piperazin-1-yl]butyl]-1,2-benzothiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-[4-[4-(5-oxidanylpyrimidin-2-yl)piperazin-1-yl]butyl]-1,2-benzothiazol-3-one Openeye Name: 2-[4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[4-[4-(5-hydroxy-2-pyrimidinyl)-1-piperazinyl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[4-[4-(5-hydroxypyrimidin-2-yl)piperazino]butyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=C(C=N4)O

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=C(C=N4)O

InChI

InChI=1S/C19H23N5O4S/c25-15-13-20-19(21-14-15)23-11-9-22(10-12-23)7-3-4-8-24-18(26)16-5-1-2-6-17(16)29(24,27)28/h1-2,5-6,13-14,25H,3-4,7-12H2