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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(1-piperidyl)ethylamino]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(1-piperidinyl)ethylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-piperidinoethylamino)pyrimidin-4-yl]acetonitrile Formula: C20H22N6S MolecularWeight: 378.49388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N6S/c21-14-15(19-24-17-6-2-3-7-18(17)27-19)16-8-9-22-20(25-16)23-10-13-26-11-4-1-5-12-26/h2-3,6-9,15H,1,4-5,10-13H2,(H,22,23,25)