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

Systemtic Name: N-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C21H19N7O2S MolecularWeight: 433.48626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N7O2S/c29-28(30)18-19(25-21-24-16-8-4-5-9-17(16)31-21)22-14-23-20(18)27-12-10-26(11-13-27)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,22,23,24,25)