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

Systemtic Name: N6-(1,3-benzothiazol-2-yl)-N4-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzothiazol-2-yl)-N4-(2-methoxy-1-methyl-ethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzothiazol-2-yl)-N4-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzothiazol-2-yl)-4-N-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C15H16N6O3S MolecularWeight: 360.39094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N6O3S/c1-9(7-24-2)18-13-12(21(22)23)14(17-8-16-13)20-15-19-10-5-3-4-6-11(10)25-15/h3-6,8-9H,7H2,1-2H3,(H2,16,17,18,19,20)