3-[[2-(4-bromophenyl)-6-methyl-pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[[2-(4-bromophenyl)-6-methyl-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[[2-(4-bromophenyl)-6-methyl-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[[2-(4-bromophenyl)-6-methyl-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[[2-(4-bromophenyl)-6-methyl-pyrimidin-4-yl]amino]propionitrile Formula: C14H13BrN4 MolecularWeight: 317.18382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC=C(C=C2)Br)NCCC#N

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC=C(C=C2)Br)NCCC#N

InChI

InChI=1S/C14H13BrN4/c1-10-9-13(17-8-2-7-16)19-14(18-10)11-3-5-12(15)6-4-11/h3-6,9H,2,8H2,1H3,(H,17,18,19)