N-[5-cyano-2-(hexylamino)pyrimidin-4-yl]benzamide

Systemtic Name: N-[5-cyano-2-(hexylamino)pyrimidin-4-yl]benzamide Openeye Name: N-[5-cyano-2-(hexylamino)pyrimidin-4-yl]benzamide CAS Name: N-[5-cyano-2-(hexylamino)-4-pyrimidinyl]benzamide IUPAC Name: N-[5-cyano-2-(hexylamino)pyrimidin-4-yl]benzamide Traditional Name: N-[5-cyano-2-(hexylamino)pyrimidin-4-yl]benzamide Formula: C18H21N5O MolecularWeight: 323.39224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC=C(C(=N1)NC(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

CCCCCCNC1=NC=C(C(=N1)NC(=O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C18H21N5O/c1-2-3-4-8-11-20-18-21-13-15(12-19)16(23-18)22-17(24)14-9-6-5-7-10-14/h5-7,9-10,13H,2-4,8,11H2,1H3,(H2,20,21,22,23,24)