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

Systemtic Name: 3-[1-(dimethylamino)propan-2-yloxy]-5-[[8-(2-hydroxyethylamino)isoquinolin-3-yl]amino]pyrazine-2-carbonitrile Openeye Name: 3-[2-(dimethylamino)-1-methyl-ethoxy]-5-[[8-(2-hydroxyethylamino)-3-isoquinolyl]amino]pyrazine-2-carbonitrile CAS Name: 3-[1-(dimethylamino)propan-2-yloxy]-5-[[8-(2-hydroxyethylamino)-3-isoquinolinyl]amino]-2-pyrazinecarbonitrile IUPAC Name: 3-[1-(dimethylamino)propan-2-yloxy]-5-[[8-(2-hydroxyethylamino)isoquinolin-3-yl]amino]pyrazine-2-carbonitrile Traditional Name: 3-[2-(dimethylamino)-1-methyl-ethoxy]-5-[[8-(2-hydroxyethylamino)-3-isoquinolyl]amino]pyrazinonitrile Formula: C21H25N7O2 MolecularWeight: 407.4689

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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=C3NCCO

Isomeric SMILES

CC(CN(C)C)OC1=NC(=CN=C1C#N)NC2=NC=C3C(=C2)C=CC=C3NCCO

InChI

InChI=1S/C21H25N7O2/c1-14(13-28(2)3)30-21-18(10-22)24-12-20(27-21)26-19-9-15-5-4-6-17(23-7-8-29)16(15)11-25-19/h4-6,9,11-12,14,23,29H,7-8,13H2,1-3H3,(H,25,26,27)