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

Systemtic Name: 6-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dimethylphenoxy)-N-(3-morpholinopropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dimethylphenoxy)-N-[3-(4-morpholinyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(3-morpholinopropyl)amine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3)C

InChI

InChI=1S/C19H25N5O4/c1-14-4-5-16(12-15(14)2)28-19-17(24(25)26)18(21-13-22-19)20-6-3-7-23-8-10-27-11-9-23/h4-5,12-13H,3,6-11H2,1-2H3,(H,20,21,22)