5-[[5-(4-oxidanylbutyl)-4-(piperidin-4-ylmethylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile

Systemtic Name: 5-[[5-(4-oxidanylbutyl)-4-(piperidin-4-ylmethylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile Openeye Name: 5-[[5-(4-hydroxybutyl)-4-(4-piperidylmethylamino)-2-pyridyl]amino]pyrazine-2-carbonitrile CAS Name: 5-[[5-(4-hydroxybutyl)-4-(4-piperidinylmethylamino)-2-pyridinyl]amino]-2-pyrazinecarbonitrile IUPAC Name: 5-[[5-(4-hydroxybutyl)-4-(piperidin-4-ylmethylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile Traditional Name: 5-[[5-(4-hydroxybutyl)-4-(4-piperidylmethylamino)-2-pyridyl]amino]pyrazinonitrile Formula: C20H27N7O MolecularWeight: 381.47468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CNC2=CC(=NC=C2CCCCO)NC3=NC=C(N=C3)C#N

Isomeric SMILES

C1CNCCC1CNC2=CC(=NC=C2CCCCO)NC3=NC=C(N=C3)C#N

InChI

InChI=1S/C20H27N7O/c21-10-17-13-26-20(14-23-17)27-19-9-18(16(12-25-19)3-1-2-8-28)24-11-15-4-6-22-7-5-15/h9,12-15,22,28H,1-8,11H2,(H2,24,25,26,27)