6-(3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylphenoxy)-N-(2-morpholinoethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,5-dimethylphenoxy)-N-[2-(4-morpholinyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(2-morpholinoethyl)amine Formula: C18H23N5O4 MolecularWeight: 373.40632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCN3CCOCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCN3CCOCC3)C

InChI

InChI=1S/C18H23N5O4/c1-13-9-14(2)11-15(10-13)27-18-16(23(24)25)17(20-12-21-18)19-3-4-22-5-7-26-8-6-22/h9-12H,3-8H2,1-2H3,(H,19,20,21)