(E)-3-azanyl-2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)oxy]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetyl]but-2-enenitrile Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC1=C2C(=CSC2=NC=N1)C3=CC=CC=C3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC1=C2C(=CSC2=NC=N1)C3=CC=CC=C3)/N

InChI

InChI=1S/C18H14N4O2S/c1-11(20)13(7-19)15(23)8-24-17-16-14(12-5-3-2-4-6-12)9-25-18(16)22-10-21-17/h2-6,9-10H,8,20H2,1H3/b13-11+