N-[2-chloranyl-5-(trifluoromethyl)phenyl]-6-methyl-2-morpholin-4-yl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-6-methyl-2-morpholin-4-yl-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2-morpholino-5-nitro-pyrimidin-4-amine CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2-(4-morpholinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine Traditional Name: [2-chloro-5-(trifluoromethyl)phenyl]-(6-methyl-2-morpholino-5-nitro-pyrimidin-4-yl)amine Formula: C16H15ClF3N5O3 MolecularWeight: 417.77021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CCOCC2)NC3=C(C=CC(=C3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N2CCOCC2)NC3=C(C=CC(=C3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClF3N5O3/c1-9-13(25(26)27)14(23-15(21-9)24-4-6-28-7-5-24)22-12-8-10(16(18,19)20)2-3-11(12)17/h2-3,8H,4-7H2,1H3,(H,21,22,23)