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

Systemtic Name: 2-[4-oxidanylidene-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[4-oxo-5-(4-propoxyphenyl)-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[4-keto-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C17H15N3O2S MolecularWeight: 325.3849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC#N

InChI

InChI=1S/C17H15N3O2S/c1-2-9-22-13-5-3-12(4-6-13)14-10-23-16-15(14)17(21)20(8-7-18)11-19-16/h3-6,10-11H,2,8-9H2,1H3