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

Systemtic Name: (E)-3-azanyl-2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]but-2-enenitrile Formula: C18H14N4OS2 MolecularWeight: 366.45996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=CC=C3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=CC=C3)/N

InChI

InChI=1S/C18H14N4OS2/c1-11(20)13(7-19)15(23)9-25-18-16-14(12-5-3-2-4-6-12)8-24-17(16)21-10-22-18/h2-6,8,10H,9,20H2,1H3/b13-11+