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

Systemtic Name: N6-(1,3-benzothiazol-2-yl)-N4-butyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzothiazol-2-yl)-N4-butyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzothiazol-2-yl)-N4-butyl-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzothiazol-2-yl)-4-N-butyl-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]-butyl-methyl-amine Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O2S/c1-3-4-9-21(2)15-13(22(23)24)14(17-10-18-15)20-16-19-11-7-5-6-8-12(11)25-16/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,19,20)