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

Systemtic Name: 6-methyl-N-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: 6-methyl-N-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: 6-methyl-N-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-methyl-N-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: (6-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=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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