2-(1,3-benzothiazol-2-yl)-2-[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(dimethylamino)propylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]acetonitrile Formula: C18H20N6S MolecularWeight: 352.4566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC=CC(=N1)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(C)CCCNC1=NC=CC(=N1)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H20N6S/c1-24(2)11-5-9-20-18-21-10-8-14(23-18)13(12-19)17-22-15-6-3-4-7-16(15)25-17/h3-4,6-8,10,13H,5,9,11H2,1-2H3,(H,20,21,23)