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

Systemtic Name: N6-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-N4-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-(4,5-dimethylthiazol-2-yl)-N4-isopropyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4,5-dimethyl-2-thiazolyl)-5-nitro-N4-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: (4,5-dimethylthiazol-2-yl)-[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C12H16N6O2S MolecularWeight: 308.35944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N6O2S/c1-6(2)15-10-9(18(19)20)11(14-5-13-10)17-12-16-7(3)8(4)21-12/h5-6H,1-4H3,(H2,13,14,15,16,17)