4-[(5-phenylmethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(5-phenylmethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(5-benzyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzonitrile CAS Name: 4-[(5-phenylmethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzonitrile IUPAC Name: 4-[(5-phenylmethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzonitrile Traditional Name: 4-[(5-benzoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzonitrile Formula: C21H18N4O MolecularWeight: 342.39382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1OCC3=CC=CC=C3)C(=NC=N2)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC2=C(C1OCC3=CC=CC=C3)C(=NC=N2)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H18N4O/c22-12-15-6-8-17(9-7-15)25-21-20-18(23-14-24-21)10-11-19(20)26-13-16-4-2-1-3-5-16/h1-9,14,19H,10-11,13H2,(H,23,24,25)