(2R)-2-ethanimidoyl-4-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-2-ethanimidoyl-4-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2R)-2-ethanimidoyl-4-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: (2R)-4-[[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2R)-2-ethanimidoyl-4-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[[6-ethyl-4-keto-3-(3-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]-3-keto-butyronitrile Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC(=CC=C3)OC)SCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC(=CC=C3)OC)SCC(=O)[C@@H](C#N)C(=N)C)C

InChI

InChI=1S/C22H22N4O3S2/c1-5-18-12(2)19-20(31-18)25-22(30-11-17(27)16(10-23)13(3)24)26(21(19)28)14-7-6-8-15(9-14)29-4/h6-9,16,24H,5,11H2,1-4H3/t16-/m0/s1