2-butyl-1,1-bis(oxidanylidene)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2-benzothiazol-3-one

Systemtic Name: 2-butyl-1,1-bis(oxidanylidene)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2-benzothiazol-3-one Openeye Name: 2-butyl-1,1-dioxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2-benzothiazol-3-one CAS Name: 2-butyl-1,1-dioxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]-1,2-benzothiazol-3-one IUPAC Name: 2-butyl-1,1-dioxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2-benzothiazol-3-one Traditional Name: 2-butyl-1,1-diketo-4-[4-(2-pyrimidyl)piperazino]-1,2-benzothiazol-3-one Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=CC=C2S1(=O)=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CC=C2S1(=O)=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H23N5O3S/c1-2-3-10-24-18(25)17-15(6-4-7-16(17)28(24,26)27)22-11-13-23(14-12-22)19-20-8-5-9-21-19/h4-9H,2-3,10-14H2,1H3