2-[5-ethyl-6-methyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-3-phenyl-propanenitrile

Systemtic Name: 2-[5-ethyl-6-methyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-3-phenyl-propanenitrile Openeye Name: 2-[5-ethyl-6-methyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-3-phenyl-propanenitrile CAS Name: 2-[[5-ethyl-6-methyl-4-oxo-3-(2-oxolanylmethyl)-2-thieno[2,3-d]pyrimidinyl]thio]-3-phenylpropanenitrile IUPAC Name: 2-[5-ethyl-6-methyl-4-oxo-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-3-phenylpropanenitrile Traditional Name: 2-[[5-ethyl-4-keto-6-methyl-3-(tetrahydrofurfuryl)thieno[2,3-d]pyrimidin-2-yl]thio]-3-phenyl-propionitrile Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SC(CC3=CC=CC=C3)C#N)CC4CCCO4)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SC(CC3=CC=CC=C3)C#N)CC4CCCO4)C

InChI

InChI=1S/C23H25N3O2S2/c1-3-19-15(2)29-21-20(19)22(27)26(14-17-10-7-11-28-17)23(25-21)30-18(13-24)12-16-8-5-4-6-9-16/h4-6,8-9,17-18H,3,7,10-12,14H2,1-2H3