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

Systemtic Name: 5-[[8-(3-oxidanylpropylamino)isoquinolin-3-yl]amino]-3-[(3R)-pyrrolidin-3-yl]oxy-pyrazine-2-carbonitrile Openeye Name: 5-[[8-(3-hydroxypropylamino)-3-isoquinolyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxy-pyrazine-2-carbonitrile CAS Name: 5-[[8-(3-hydroxypropylamino)-3-isoquinolinyl]amino]-3-[[(3R)-3-pyrrolidinyl]oxy]-2-pyrazinecarbonitrile IUPAC Name: 5-[[8-(3-hydroxypropylamino)isoquinolin-3-yl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile Traditional Name: 5-[[8-(3-hydroxypropylamino)-3-isoquinolyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxy-pyrazinonitrile Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1OC2=NC(=CN=C2C#N)NC3=NC=C4C(=C3)C=CC=C4NCCCO

Isomeric SMILES

C1CNC[C@@H]1OC2=NC(=CN=C2C#N)NC3=NC=C4C(=C3)C=CC=C4NCCCO

InChI

InChI=1S/C21H23N7O2/c22-10-18-21(30-15-5-7-23-11-15)28-20(13-25-18)27-19-9-14-3-1-4-17(16(14)12-26-19)24-6-2-8-29/h1,3-4,9,12-13,15,23-24,29H,2,5-8,11H2,(H,26,27,28)/t15-/m1/s1