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

Systemtic Name: (E)-3-azanyl-2-[2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-2-[2-(3-allyl-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]-3-amino-but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-2-[2-[(3-allyl-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]-3-amino-but-2-enenitrile Formula: C17H18N4O2S2 MolecularWeight: 374.48042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C17H18N4O2S2/c1-4-6-21-16(23)12-7-11(5-2)25-15(12)20-17(21)24-9-14(22)13(8-18)10(3)19/h4,7H,1,5-6,9,19H2,2-3H3/b13-10+