3-[1-(dimethylamino)propan-2-yloxy]-5-[[8-(3-oxidanylpropylamino)isoquinolin-3-yl]amino]pyrazine-2-carbonitrile

Systemtic Name: 3-[1-(dimethylamino)propan-2-yloxy]-5-[[8-(3-oxidanylpropylamino)isoquinolin-3-yl]amino]pyrazine-2-carbonitrile Openeye Name: 3-[2-(dimethylamino)-1-methyl-ethoxy]-5-[[8-(3-hydroxypropylamino)-3-isoquinolyl]amino]pyrazine-2-carbonitrile CAS Name: 3-[1-(dimethylamino)propan-2-yloxy]-5-[[8-(3-hydroxypropylamino)-3-isoquinolinyl]amino]-2-pyrazinecarbonitrile IUPAC Name: 3-[1-(dimethylamino)propan-2-yloxy]-5-[[8-(3-hydroxypropylamino)isoquinolin-3-yl]amino]pyrazine-2-carbonitrile Traditional Name: 3-[2-(dimethylamino)-1-methyl-ethoxy]-5-[[8-(3-hydroxypropylamino)-3-isoquinolyl]amino]pyrazinonitrile Formula: C22H27N7O2 MolecularWeight: 421.49548

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C)OC1=NC(=CN=C1C#N)NC2=NC=C3C(=C2)C=CC=C3NCCCO

Isomeric SMILES

CC(CN(C)C)OC1=NC(=CN=C1C#N)NC2=NC=C3C(=C2)C=CC=C3NCCCO

InChI

InChI=1S/C22H27N7O2/c1-15(14-29(2)3)31-22-19(11-23)25-13-21(28-22)27-20-10-16-6-4-7-18(17(16)12-26-20)24-8-5-9-30/h4,6-7,10,12-13,15,24,30H,5,8-9,14H2,1-3H3,(H,26,27,28)