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

Systemtic Name: (E)-but-2-enedioic acid; 4-(4-fluoranylnaphthalen-1-yl)-6-(2-methoxyethyl)pyrimidin-2-amine Openeye Name: 4-(4-fluoro-1-naphthyl)-6-(2-methoxyethyl)pyrimidin-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(4-fluoro-1-naphthalenyl)-6-(2-methoxyethyl)-2-pyrimidinamine IUPAC Name: (E)-but-2-enedioic acid; 4-(4-fluoronaphthalen-1-yl)-6-(2-methoxyethyl)pyrimidin-2-amine Traditional Name: [4-(4-fluoro-1-naphthyl)-6-(2-methoxyethyl)pyrimidin-2-yl]amine; fumaric acid Formula: C21H20FN3O5 MolecularWeight: 413.399003

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=NC(=NC(=C1)C2=CC=C(C3=CC=CC=C32)F)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COCCC1=NC(=NC(=C1)C2=CC=C(C3=CC=CC=C32)F)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H16FN3O.C4H4O4/c1-22-9-8-11-10-16(21-17(19)20-11)14-6-7-15(18)13-5-3-2-4-12(13)14;5-3(6)1-2-4(7)8/h2-7,10H,8-9H2,1H3,(H2,19,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+