N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine

Systemtic Name: N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C20H18N8O2S MolecularWeight: 434.47432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N8O2S/c29-28(30)17-18(25-20-24-14-5-1-2-6-15(14)31-20)22-13-23-19(17)27-11-9-26(10-12-27)16-7-3-4-8-21-16/h1-8,13H,9-12H2,(H,22,23,24,25)