N4-(2-methylphenyl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methylphenyl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-morpholinopropyl)-5-nitro-N4-(o-tolyl)pyrimidine-4,6-diamine CAS Name: N4-(2-methylphenyl)-N6-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylphenyl)-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 3-morpholinopropyl-[5-nitro-6-(o-toluidino)pyrimidin-4-yl]amine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O3/c1-14-5-2-3-6-15(14)22-18-16(24(25)26)17(20-13-21-18)19-7-4-8-23-9-11-27-12-10-23/h2-3,5-6,13H,4,7-12H2,1H3,(H2,19,20,21,22)