5-azanyl-1,1-bis(oxidanylidene)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one

Systemtic Name: 5-azanyl-1,1-bis(oxidanylidene)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one Openeye Name: 5-amino-1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one CAS Name: 5-amino-1,1-dioxo-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1,2-benzothiazol-3-one IUPAC Name: 5-amino-1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one Traditional Name: 5-amino-1,1-diketo-2-[3-[4-(2-pyrimidyl)piperazino]propyl]-1,2-benzothiazol-3-one Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3=C(S2(=O)=O)C=CC(=C3)N)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3=C(S2(=O)=O)C=CC(=C3)N)C4=NC=CC=N4

InChI

InChI=1S/C18H22N6O3S/c19-14-3-4-16-15(13-14)17(25)24(28(16,26)27)8-2-7-22-9-11-23(12-10-22)18-20-5-1-6-21-18/h1,3-6,13H,2,7-12,19H2