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

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

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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)CC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C23H23N7O2S/c1-16-6-5-9-18-19(16)26-23(33-18)27-21-20(30(31)32)22(25-15-24-21)29-12-10-28(11-13-29)14-17-7-3-2-4-8-17/h2-9,15H,10-14H2,1H3,(H,24,25,26,27)