N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(4-fluorophenyl)-6-phenyl-pyrimidin-2-amine

Systemtic Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(4-fluorophenyl)-6-phenyl-pyrimidin-2-amine Openeye Name: N-[(E)-(4-butoxyphenyl)methyleneamino]-4-(4-fluorophenyl)-6-phenyl-pyrimidin-2-amine CAS Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(4-fluorophenyl)-6-phenyl-2-pyrimidinamine IUPAC Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine Traditional Name: [(E)-(4-butoxybenzylidene)amino]-[4-(4-fluorophenyl)-6-phenyl-pyrimidin-2-yl]amine Formula: C27H25FN4O MolecularWeight: 440.512003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NNC2=NC(=CC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=N/NC2=NC(=CC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C27H25FN4O/c1-2-3-17-33-24-15-9-20(10-16-24)19-29-32-27-30-25(21-7-5-4-6-8-21)18-26(31-27)22-11-13-23(28)14-12-22/h4-16,18-19H,2-3,17H2,1H3,(H,30,31,32)/b29-19+