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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H12N6O2S/c1-2-14-11-10(19(20)21)12(16-7-15-11)18-13-17-8-5-3-4-6-9(8)22-13/h3-7H,2H2,1H3,(H2,14,15,16,17,18)