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

Systemtic Name: N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C23H23N7O2S MolecularWeight: 461.53942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-])C

InChI

InChI=1S/C23H23N7O2S/c1-15-6-5-8-18(16(15)2)28-10-12-29(13-11-28)22-20(30(31)32)21(24-14-25-22)27-23-26-17-7-3-4-9-19(17)33-23/h3-9,14H,10-13H2,1-2H3,(H,24,25,26,27)