N4-(3,4-dimethylphenyl)-2-morpholin-4-yl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3,4-dimethylphenyl)-2-morpholin-4-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3,4-dimethylphenyl)-2-morpholino-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,4-dimethylphenyl)-2-(4-morpholinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-2-morpholino-5-nitro-pyrimidin-4-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(=NC(=C2[N+](=O)[O-])N)N3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCOCC3)C

InChI

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