(E)-3-azanyl-2-[2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[3-methyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[4-keto-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]but-2-enenitrile Formula: C17H14N4O2S3 MolecularWeight: 402.51366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1C)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1C)/N

InChI

InChI=1S/C17H14N4O2S3/c1-9(19)10(6-18)12(22)8-26-17-20-15-14(16(23)21(17)2)11(7-25-15)13-4-3-5-24-13/h3-5,7H,8,19H2,1-2H3/b10-9+