(E)-3-azanyl-2-[2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-2-[2-(3-allyl-4-oxo-6-phenyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]-3-amino-but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[3,2-d]pyrimidinyl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(4-oxo-6-phenyl-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-2-[2-[(3-allyl-4-keto-6-phenyl-thieno[3,2-d]pyrimidin-2-yl)thio]acetyl]-3-amino-but-2-enenitrile Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=C(C(=O)N1CC=C)SC(=C2)C3=CC=CC=C3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=C(C(=O)N1CC=C)SC(=C2)C3=CC=CC=C3)/N

InChI

InChI=1S/C21H18N4O2S2/c1-3-9-25-20(27)19-16(10-18(29-19)14-7-5-4-6-8-14)24-21(25)28-12-17(26)15(11-22)13(2)23/h3-8,10H,1,9,12,23H2,2H3/b15-13+