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

Systemtic Name: 6-methyl-N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: 6-methyl-N-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: 6-methyl-N-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-methyl-N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: (6-methyl-1,3-benzothiazol-2-yl)-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C21H20N8O2S MolecularWeight: 448.5009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C21H20N8O2S/c1-14-5-6-15-16(12-14)32-21(25-15)26-19-18(29(30)31)20(24-13-23-19)28-10-8-27(9-11-28)17-4-2-3-7-22-17/h2-7,12-13H,8-11H2,1H3,(H,23,24,25,26)