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

Systemtic Name: N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine CAS Name: N-[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(4-methyl-1,3-benzothiazol-2-yl)amine Formula: C24H25N7O2S MolecularWeight: 475.566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N7O2S/c1-15-6-4-8-18(17(15)3)29-10-12-30(13-11-29)23-21(31(32)33)22(25-14-26-23)28-24-27-20-16(2)7-5-9-19(20)34-24/h4-9,14H,10-13H2,1-3H3,(H,25,26,27,28)