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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N6O2S/c1-3-20(4-2)14-12(21(22)23)13(16-9-17-14)19-15-18-10-7-5-6-8-11(10)24-15/h5-9H,3-4H2,1-2H3,(H,16,17,18,19)