N2-(3,4-dimethylphenyl)-6-morpholin-4-yl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(3,4-dimethylphenyl)-6-morpholin-4-yl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(3,4-dimethylphenyl)-6-morpholino-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3,4-dimethylphenyl)-6-(4-morpholinyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine Traditional Name: (4-amino-6-morpholino-5-nitro-pyrimidin-2-yl)-(3,4-dimethylphenyl)amine Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCOCC3)C

InChI

InChI=1S/C16H20N6O3/c1-10-3-4-12(9-11(10)2)18-16-19-14(17)13(22(23)24)15(20-16)21-5-7-25-8-6-21/h3-4,9H,5-8H2,1-2H3,(H3,17,18,19,20)