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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5

InChI

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