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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-dimethylaminoethylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-dimethylaminoethylamino)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-dimethylaminoethylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-dimethylaminoethylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-dimethylaminoethylamino)pyrimidin-4-yl]acetonitrile Formula: C17H18N6S MolecularWeight: 338.43002

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=NC=CC(=N1)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(C)CCNC1=NC=CC(=N1)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H18N6S/c1-23(2)10-9-20-17-19-8-7-13(22-17)12(11-18)16-21-14-5-3-4-6-15(14)24-16/h3-8,12H,9-10H2,1-2H3,(H,19,20,22)