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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(1-methylimidazol-4-yl)ethylamino]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(1-methylimidazol-4-yl)ethylamino]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(1-methylimidazol-4-yl)ethylamino]pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(1-methylimidazol-4-yl)ethylamino]pyrimidin-4-yl]acetonitrile Formula: C19H17N7S MolecularWeight: 375.45018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)CCNC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=C(N=C1)CCNC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17N7S/c1-26-11-13(23-12-26)6-8-21-19-22-9-7-15(25-19)14(10-20)18-24-16-4-2-3-5-17(16)27-18/h2-5,7,9,11-12,14H,6,8H2,1H3,(H,21,22,25)