2-[2-bromanyl-4-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)-6-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[2-bromanyl-4-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)-6-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-4-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-6-methoxy-phenoxy]acetonitrile CAS Name: 2-[2-bromo-4-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-6-methoxyphenoxy]acetonitrile IUPAC Name: 2-[2-bromo-4-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-6-methoxyphenoxy]acetonitrile Traditional Name: 2-[2-bromo-4-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)-6-methoxy-phenoxy]acetonitrile Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC(=C(C(=C3)Br)OCC#N)OC)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC(=C(C(=C3)Br)OCC#N)OC)C

InChI

InChI=1S/C17H14BrN3O3S/c1-8-9(2)25-17-13(8)16(22)20-15(21-17)10-6-11(18)14(24-5-4-19)12(7-10)23-3/h6-7H,5H2,1-3H3,(H,20,21,22)