5-[[8-(3-oxidanylpropylamino)isoquinolin-3-yl]amino]pyrazine-2-carbonitrile

Systemtic Name: 5-[[8-(3-oxidanylpropylamino)isoquinolin-3-yl]amino]pyrazine-2-carbonitrile Openeye Name: 5-[[8-(3-hydroxypropylamino)-3-isoquinolyl]amino]pyrazine-2-carbonitrile CAS Name: 5-[[8-(3-hydroxypropylamino)-3-isoquinolinyl]amino]-2-pyrazinecarbonitrile IUPAC Name: 5-[[8-(3-hydroxypropylamino)isoquinolin-3-yl]amino]pyrazine-2-carbonitrile Traditional Name: 5-[[8-(3-hydroxypropylamino)-3-isoquinolyl]amino]pyrazinonitrile Formula: C17H16N6O MolecularWeight: 320.34854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=NC=C2C(=C1)NCCCO)NC3=NC=C(N=C3)C#N

Isomeric SMILES

C1=CC2=CC(=NC=C2C(=C1)NCCCO)NC3=NC=C(N=C3)C#N

InChI

InChI=1S/C17H16N6O/c18-8-13-9-21-17(11-20-13)23-16-7-12-3-1-4-15(14(12)10-22-16)19-5-2-6-24/h1,3-4,7,9-11,19,24H,2,5-6H2,(H,21,22,23)