N2-[(4-methylphenyl)methyl]-6-morpholin-4-yl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-[(4-methylphenyl)methyl]-6-morpholin-4-yl-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-morpholino-5-nitro-N2-(p-tolylmethyl)pyrimidine-2,4-diamine CAS Name: N2-[(4-methylphenyl)methyl]-6-(4-morpholinyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[(4-methylphenyl)methyl]-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine Traditional Name: (4-amino-6-morpholino-5-nitro-pyrimidin-2-yl)-(4-methylbenzyl)amine Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C16H20N6O3/c1-11-2-4-12(5-3-11)10-18-16-19-14(17)13(22(23)24)15(20-16)21-6-8-25-9-7-21/h2-5H,6-10H2,1H3,(H3,17,18,19,20)