4-[(5-bromanylpyrimidin-2-yl)amino]-2-methyl-3-(5-oxidanylideneoxolan-2-yl)benzenecarbonitrile

Systemtic Name: 4-[(5-bromanylpyrimidin-2-yl)amino]-2-methyl-3-(5-oxidanylideneoxolan-2-yl)benzenecarbonitrile Openeye Name: 4-[(5-bromopyrimidin-2-yl)amino]-2-methyl-3-(5-oxotetrahydrofuran-2-yl)benzonitrile CAS Name: 4-[(5-bromo-2-pyrimidinyl)amino]-2-methyl-3-(5-oxo-2-oxolanyl)benzonitrile IUPAC Name: 4-[(5-bromopyrimidin-2-yl)amino]-2-methyl-3-(5-oxooxolan-2-yl)benzonitrile Traditional Name: 4-[(5-bromopyrimidin-2-yl)amino]-3-(5-ketotetrahydrofuran-2-yl)-2-methyl-benzonitrile Formula: C16H13BrN4O2 MolecularWeight: 373.20402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2CCC(=O)O2)NC3=NC=C(C=N3)Br)C#N

Isomeric SMILES

CC1=C(C=CC(=C1C2CCC(=O)O2)NC3=NC=C(C=N3)Br)C#N

InChI

InChI=1S/C16H13BrN4O2/c1-9-10(6-18)2-3-12(15(9)13-4-5-14(22)23-13)21-16-19-7-11(17)8-20-16/h2-3,7-8,13H,4-5H2,1H3,(H,19,20,21)