6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3,5-dimethyl-phenoxy)-N-(3-morpholinopropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-[3-(4-morpholinyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(3-morpholinopropyl)amine Formula: C19H24ClN5O4 MolecularWeight: 421.87796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3

InChI

InChI=1S/C19H24ClN5O4/c1-13-10-15(11-14(2)16(13)20)29-19-17(25(26)27)18(22-12-23-19)21-4-3-5-24-6-8-28-9-7-24/h10-12H,3-9H2,1-2H3,(H,21,22,23)