(E)-2-(4-bromophenyl)carbonyl-3-(pyrimidin-2-ylamino)prop-2-enenitrile

Systemtic Name: (E)-2-(4-bromophenyl)carbonyl-3-(pyrimidin-2-ylamino)prop-2-enenitrile Openeye Name: (E)-2-(4-bromobenzoyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile CAS Name: (E)-2-[(4-bromophenyl)-oxomethyl]-3-(2-pyrimidinylamino)-2-propenenitrile IUPAC Name: (E)-2-(4-bromobenzoyl)-3-(pyrimidin-2-ylamino)prop-2-enenitrile Traditional Name: (E)-2-(4-bromobenzoyl)-3-(2-pyrimidylamino)acrylonitrile Formula: C14H9BrN4O MolecularWeight: 329.15146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC=C(C#N)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CN=C(N=C1)N/C=C(\C#N)/C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H9BrN4O/c15-12-4-2-10(3-5-12)13(20)11(8-16)9-19-14-17-6-1-7-18-14/h1-7,9H,(H,17,18,19)/b11-9+