2-[5-(2-methylpropyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]ethanenitrile

Systemtic Name: 2-[5-(2-methylpropyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]ethanenitrile Openeye Name: 2-(5-isobutyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetonitrile CAS Name: 2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetonitrile IUPAC Name: 2-[5-(2-methylpropyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetonitrile Traditional Name: 2-(5-isobutyl-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl)acetonitrile Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CSC2=C1C(=O)NC(=N2)CC#N

Isomeric SMILES

CC(C)CC1=CSC2=C1C(=O)NC(=N2)CC#N

InChI

InChI=1S/C12H13N3OS/c1-7(2)5-8-6-17-12-10(8)11(16)14-9(15-12)3-4-13/h6-7H,3,5H2,1-2H3,(H,14,15,16)