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

Systemtic Name: N6-(1,3-benzothiazol-2-yl)-N4-tert-butyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzothiazol-2-yl)-N4-tert-butyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzothiazol-2-yl)-N4-tert-butyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzothiazol-2-yl)-4-N-tert-butyl-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C15H16N6O2S MolecularWeight: 344.39154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H16N6O2S/c1-15(2,3)20-13-11(21(22)23)12(16-8-17-13)19-14-18-9-6-4-5-7-10(9)24-14/h4-8H,1-3H3,(H2,16,17,18,19,20)