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

Systemtic Name: (E)-but-2-enedioic acid; 4-(4-fluoranylnaphthalen-1-yl)-6-propan-2-yl-pyrimidin-2-amine Openeye Name: 4-(4-fluoro-1-naphthyl)-6-isopropyl-pyrimidin-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(4-fluoro-1-naphthalenyl)-6-propan-2-yl-2-pyrimidinamine IUPAC Name: (E)-but-2-enedioic acid; 4-(4-fluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine Traditional Name: [4-(4-fluoro-1-naphthyl)-6-isopropyl-pyrimidin-2-yl]amine; fumaric acid Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1)C2=CC=C(C3=CC=CC=C32)F)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=NC(=NC(=C1)C2=CC=C(C3=CC=CC=C32)F)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H16FN3.C4H4O4/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13;5-3(6)1-2-4(7)8/h3-10H,1-2H3,(H2,19,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+