2-(1,3-benzothiazol-2-yl)-2-[2-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3-morpholinopropylamino)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(4-morpholinyl)propylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3-morpholinopropylamino)pyrimidin-4-yl]acetonitrile Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1CCCNC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N6OS/c21-14-15(19-24-17-4-1-2-5-18(17)28-19)16-6-8-23-20(25-16)22-7-3-9-26-10-12-27-13-11-26/h1-2,4-6,8,15H,3,7,9-13H2,(H,22,23,25)