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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(propylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(propylamino)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(propylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(propylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(propylamino)pyrimidin-4-yl]acetonitrile Formula: C16H15N5S MolecularWeight: 309.3888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5S/c1-2-8-18-16-19-9-7-12(21-16)11(10-17)15-20-13-5-3-4-6-14(13)22-15/h3-7,9,11H,2,8H2,1H3,(H,18,19,21)