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

Systemtic Name: N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine CAS Name: N-[6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine Traditional Name: [6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(4-methyl-1,3-benzothiazol-2-yl)amine Formula: C22H20FN7O2S MolecularWeight: 465.503303

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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=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C22H20FN7O2S/c1-14-3-2-4-17-18(14)26-22(33-17)27-20-19(30(31)32)21(25-13-24-20)29-11-9-28(10-12-29)16-7-5-15(23)6-8-16/h2-8,13H,9-12H2,1H3,(H,24,25,26,27)