3-[[4-(2-azanyl-5-methyl-6-phenyl-pyrimidin-4-yl)piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-azanyl-5-methyl-6-phenyl-pyrimidin-4-yl)piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-amino-5-methyl-6-phenyl-pyrimidin-4-yl)-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-(2-amino-5-methyl-6-phenyl-4-pyrimidinyl)-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(2-amino-5-methyl-6-phenylpyrimidin-4-yl)piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2-amino-5-methyl-6-phenyl-pyrimidin-4-yl)piperidino]methyl]benzonitrile Formula: C24H25N5 MolecularWeight: 383.4888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C2CCN(CC2)CC3=CC=CC(=C3)C#N)N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(N=C1C2CCN(CC2)CC3=CC=CC(=C3)C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C24H25N5/c1-17-22(20-8-3-2-4-9-20)27-24(26)28-23(17)21-10-12-29(13-11-21)16-19-7-5-6-18(14-19)15-25/h2-9,14,21H,10-13,16H2,1H3,(H2,26,27,28)