(E)-but-2-enedioic acid; 4-(4-fluoranylnaphthalen-1-yl)-6-phenethyl-pyrimidin-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 4-(4-fluoranylnaphthalen-1-yl)-6-phenethyl-pyrimidin-2-amine Openeye Name: 4-(4-fluoro-1-naphthyl)-6-phenethyl-pyrimidin-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(4-fluoro-1-naphthalenyl)-6-phenethyl-2-pyrimidinamine IUPAC Name: (E)-but-2-enedioic acid; 4-(4-fluoronaphthalen-1-yl)-6-phenethylpyrimidin-2-amine Traditional Name: [4-(4-fluoro-1-naphthyl)-6-phenethyl-pyrimidin-2-yl]amine; fumaric acid Formula: C26H22FN3O4 MolecularWeight: 459.468983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC(=NC(=C2)C3=CC=C(C4=CC=CC=C43)F)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC(=NC(=C2)C3=CC=C(C4=CC=CC=C43)F)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H18FN3.C4H4O4/c23-20-13-12-19(17-8-4-5-9-18(17)20)21-14-16(25-22(24)26-21)11-10-15-6-2-1-3-7-15;5-3(6)1-2-4(7)8/h1-9,12-14H,10-11H2,(H2,24,25,26);1-2H,(H,5,6)(H,7,8)/b;2-1+