(E)-but-2-enedioic acid; (4-chlorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)-pyrimidin-2-yl-methanol

Systemtic Name: (E)-but-2-enedioic acid; (4-chlorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)-pyrimidin-2-yl-methanol Openeye Name: (4-chlorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)-pyrimidin-2-yl-methanol; fumaric acid CAS Name: (E)-2-butenedioic acid; (4-chlorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)-(2-pyrimidinyl)methanol IUPAC Name: (E)-but-2-enedioic acid; (4-chlorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)-pyrimidin-2-ylmethanol Traditional Name: (4-chlorophenyl)-(2-imidazolin-2-yl)-(2-pyrimidyl)methanol; fumaric acid Formula: C18H17ClN4O5 MolecularWeight: 404.80438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)C(C2=CC=C(C=C2)Cl)(C3=NC=CC=N3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN=C(N1)C(C2=CC=C(C=C2)Cl)(C3=NC=CC=N3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H13ClN4O.C4H4O4/c15-11-4-2-10(3-5-11)14(20,13-18-8-9-19-13)12-16-6-1-7-17-12;5-3(6)1-2-4(7)8/h1-7,20H,8-9H2,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+