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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4,5-dimethylthiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4,5-dimethyl-2-thiazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4,5-dimethylthiazol-2-yl)-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C17H16N6O4S MolecularWeight: 400.41174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C

InChI

InChI=1S/C17H16N6O4S/c1-9-10(2)28-17(21-9)22-16-14(23(24)25)15(19-7-20-16)18-6-11-3-4-12-13(5-11)27-8-26-12/h3-5,7H,6,8H2,1-2H3,(H2,18,19,20,21,22)