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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(2-oxo-1-pyrrolidinyl)propylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(2-ketopyrrolidino)propylamino]pyrimidin-4-yl]acetonitrile Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(=O)N(C1)CCCNC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N6OS/c21-13-14(19-24-16-5-1-2-6-17(16)28-19)15-8-10-23-20(25-15)22-9-4-12-26-11-3-7-18(26)27/h1-2,5-6,8,10,14H,3-4,7,9,11-12H2,(H,22,23,25)