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

Systemtic Name: 4-methyl-N-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: 4-methyl-N-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: 4-methyl-N-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 4-methyl-N-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C22H21N7O2S MolecularWeight: 447.51284

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C22H21N7O2S/c1-15-6-5-9-17-18(15)25-22(32-17)26-20-19(29(30)31)21(24-14-23-20)28-12-10-27(11-13-28)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,23,24,25,26)