5-fluoranyl-N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-4-morpholin-4-yl-pyrimidin-2-amine

Systemtic Name: 5-fluoranyl-N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-4-morpholin-4-yl-pyrimidin-2-amine Openeye Name: 5-fluoro-4-morpholino-N-[(E)-[3-nitro-4-(p-tolylsulfanyl)phenyl]methyleneamino]pyrimidin-2-amine CAS Name: 5-fluoro-N-[(E)-[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylideneamino]-4-(4-morpholinyl)-2-pyrimidinamine IUPAC Name: 5-fluoro-N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine Traditional Name: (5-fluoro-4-morpholino-pyrimidin-2-yl)-[(E)-[3-nitro-4-(p-tolylthio)benzylidene]amino]amine Formula: C22H21FN6O3S MolecularWeight: 468.503943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NNC3=NC=C(C(=N3)N4CCOCC4)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/NC3=NC=C(C(=N3)N4CCOCC4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H21FN6O3S/c1-15-2-5-17(6-3-15)33-20-7-4-16(12-19(20)29(30)31)13-25-27-22-24-14-18(23)21(26-22)28-8-10-32-11-9-28/h2-7,12-14H,8-11H2,1H3,(H,24,26,27)/b25-13+