4-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]-N-(3-imidazol-1-ylpropyl)benzamide

Systemtic Name: 4-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]-N-(3-imidazol-1-ylpropyl)benzamide Openeye Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-(3-imidazol-1-ylpropyl)benzamide CAS Name: 4-[(4-amino-5-cyano-2-pyrimidinyl)amino]-N-[3-(1-imidazolyl)propyl]benzamide IUPAC Name: 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]-N-(3-imidazol-1-ylpropyl)benzamide Traditional Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-(3-imidazol-1-ylpropyl)benzamide Formula: C18H18N8O MolecularWeight: 362.38852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCN2C=CN=C2)NC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCN2C=CN=C2)NC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C18H18N8O/c19-10-14-11-23-18(25-16(14)20)24-15-4-2-13(3-5-15)17(27)22-6-1-8-26-9-7-21-12-26/h2-5,7,9,11-12H,1,6,8H2,(H,22,27)(H3,20,23,24,25)