(E)-2-(4-chlorophenyl)carbonyl-3-(pyrimidin-2-ylamino)pent-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)carbonyl-3-(pyrimidin-2-ylamino)pent-2-enenitrile Openeye Name: (E)-2-(4-chlorobenzoyl)-3-(pyrimidin-2-ylamino)pent-2-enenitrile CAS Name: (E)-2-[(4-chlorophenyl)-oxomethyl]-3-(2-pyrimidinylamino)-2-pentenenitrile IUPAC Name: (E)-2-(4-chlorobenzoyl)-3-(pyrimidin-2-ylamino)pent-2-enenitrile Traditional Name: (E)-2-(4-chlorobenzoyl)-3-(2-pyrimidylamino)pent-2-enenitrile Formula: C16H13ClN4O MolecularWeight: 312.75362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C#N)C(=O)C1=CC=C(C=C1)Cl)NC2=NC=CC=N2

Isomeric SMILES

CC/C(=C(/C#N)\C(=O)C1=CC=C(C=C1)Cl)/NC2=NC=CC=N2

InChI

InChI=1S/C16H13ClN4O/c1-2-14(21-16-19-8-3-9-20-16)13(10-18)15(22)11-4-6-12(17)7-5-11/h3-9H,2H2,1H3,(H,19,20,21)/b14-13+