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

Systemtic Name: N4-ethyl-N4-(3-methylphenyl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N6-(3-morpholinopropyl)-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N4-(3-methylphenyl)-N6-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-4-N-(3-methylphenyl)-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3

InChI

InChI=1S/C20H28N6O3/c1-3-25(17-7-4-6-16(2)14-17)20-18(26(27)28)19(22-15-23-20)21-8-5-9-24-10-12-29-13-11-24/h4,6-7,14-15H,3,5,8-13H2,1-2H3,(H,21,22,23)