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

Systemtic Name: N4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-N6-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: N4-(4,5-dimethylthiazol-2-yl)-5-nitro-N6-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-(4,5-dimethyl-2-thiazolyl)-5-nitro-N6-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-6-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: (4,5-dimethylthiazol-2-yl)-[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amine Formula: C14H13N7O2S MolecularWeight: 343.36372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=NC=C3)C

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=NC=C3)C

InChI

InChI=1S/C14H13N7O2S/c1-8-9(2)24-14(18-8)20-13-11(21(22)23)12(16-7-17-13)19-10-3-5-15-6-4-10/h3-7H,1-2H3,(H2,15,16,17,18,19,20)