6-(4-chloranyl-3-methyl-phenoxy)-N-(2-morpholin-4-ylethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-N-(2-morpholin-4-ylethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3-methyl-phenoxy)-N-(2-morpholinoethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3-methylphenoxy)-N-[2-(4-morpholinyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3-methylphenoxy)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-morpholinoethyl)amine Formula: C17H20ClN5O4 MolecularWeight: 393.8248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O4/c1-12-10-13(2-3-14(12)18)27-17-15(23(24)25)16(20-11-21-17)19-4-5-22-6-8-26-9-7-22/h2-3,10-11H,4-9H2,1H3,(H,19,20,21)