4-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]butanenitrile IUPAC Name: 4-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[6-ethyl-4-keto-3-(3-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]butyronitrile Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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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)SCCCC#N)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S2/c1-4-16-13(2)17-18(27-16)22-20(26-11-6-5-10-21)23(19(17)24)14-8-7-9-15(12-14)25-3/h7-9,12H,4-6,11H2,1-3H3