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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C19H14N6O4S MolecularWeight: 422.41726

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C19H14N6O4S/c26-25(27)16-17(20-8-11-5-6-13-14(7-11)29-10-28-13)21-9-22-18(16)24-19-23-12-3-1-2-4-15(12)30-19/h1-7,9H,8,10H2,(H2,20,21,22,23,24)