1,1-bis(oxidanylidene)-4-phenyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1$l^{6},2,4-benzothiadiazin-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-4-phenyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1$l^{6},2,4-benzothiadiazin-3-one Openeye Name: 1,1-dioxo-4-phenyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1$l^{6},2,4-benzothiadiazin-3-one CAS Name: 1,1-dioxo-4-phenyl-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1$l^{6},2,4-benzothiadiazin-3-one IUPAC Name: 1,1-dioxo-4-phenyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1$l^{6},2,4-benzothiadiazin-3-one Traditional Name: 1,1-diketo-4-phenyl-2-[4-[4-(2-pyrimidyl)piperazino]butyl]-1$l^{6},2,4-benzothiadiazin-3-one Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)N(C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)N(C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C25H28N6O3S/c32-25-30(16-7-6-15-28-17-19-29(20-18-28)24-26-13-8-14-27-24)35(33,34)23-12-5-4-11-22(23)31(25)21-9-2-1-3-10-21/h1-5,8-14H,6-7,15-20H2