5-[[8-(3-morpholin-4-ylpropylamino)isoquinolin-3-yl]amino]pyrazine-2-carbonitrile

Systemtic Name: 5-[[8-(3-morpholin-4-ylpropylamino)isoquinolin-3-yl]amino]pyrazine-2-carbonitrile Openeye Name: 5-[[8-(3-morpholinopropylamino)-3-isoquinolyl]amino]pyrazine-2-carbonitrile CAS Name: 5-[[8-[3-(4-morpholinyl)propylamino]-3-isoquinolinyl]amino]-2-pyrazinecarbonitrile IUPAC Name: 5-[[8-(3-morpholin-4-ylpropylamino)isoquinolin-3-yl]amino]pyrazine-2-carbonitrile Traditional Name: 5-[[8-(3-morpholinopropylamino)-3-isoquinolyl]amino]pyrazinonitrile Formula: C21H23N7O MolecularWeight: 389.45362

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=CC=CC3=CC(=NC=C32)NC4=NC=C(N=C4)C#N

Isomeric SMILES

C1COCCN1CCCNC2=CC=CC3=CC(=NC=C32)NC4=NC=C(N=C4)C#N

InChI

InChI=1S/C21H23N7O/c22-12-17-13-25-21(15-24-17)27-20-11-16-3-1-4-19(18(16)14-26-20)23-5-2-6-28-7-9-29-10-8-28/h1,3-4,11,13-15,23H,2,5-10H2,(H,25,26,27)