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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=C([C@@H](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/h2-6,9-10,13H,1,8,20H2/t13-/m1/s1