N6-(1,3-benzothiazol-2-yl)-N4,N4-dimethyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzothiazol-2-yl)-N4,N4-dimethyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzothiazol-2-yl)-N4,N4-dimethyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzothiazol-2-yl)-N4,N4-dimethyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzothiazol-2-yl)-4-N,4-N-dimethyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]-dimethyl-amine Formula: C13H12N6O2S MolecularWeight: 316.33838

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H12N6O2S/c1-18(2)12-10(19(20)21)11(14-7-15-12)17-13-16-8-5-3-4-6-9(8)22-13/h3-7H,1-2H3,(H,14,15,16,17)