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

Systemtic Name: N6-(3,5-dimethylphenyl)-N4-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3,5-dimethylphenyl)-N4-(2-methoxy-1-methyl-ethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3,5-dimethylphenyl)-N4-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3,5-dimethylphenyl)-4-N-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(2-methoxy-1-methyl-ethyl)amine Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC(C)COC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC(C)COC)[N+](=O)[O-])C

InChI

InChI=1S/C16H21N5O3/c1-10-5-11(2)7-13(6-10)20-16-14(21(22)23)15(17-9-18-16)19-12(3)8-24-4/h5-7,9,12H,8H2,1-4H3,(H2,17,18,19,20)