3-(2,5-dimethylphenyl)-5-ethyl-6-methyl-2-(2-oxidanylideneoxolan-3-yl)sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2,5-dimethylphenyl)-5-ethyl-6-methyl-2-(2-oxidanylideneoxolan-3-yl)sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(2,5-dimethylphenyl)-5-ethyl-6-methyl-2-(2-oxotetrahydrofuran-3-yl)sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(2,5-dimethylphenyl)-5-ethyl-6-methyl-2-[(2-oxo-3-oxolanyl)thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(2,5-dimethylphenyl)-5-ethyl-6-methyl-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2,5-dimethylphenyl)-5-ethyl-2-[(2-ketotetrahydrofuran-3-yl)thio]-6-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SC3CCOC3=O)C4=C(C=CC(=C4)C)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SC3CCOC3=O)C4=C(C=CC(=C4)C)C)C

InChI

InChI=1S/C21H22N2O3S2/c1-5-14-13(4)27-18-17(14)19(24)23(15-10-11(2)6-7-12(15)3)21(22-18)28-16-8-9-26-20(16)25/h6-7,10,16H,5,8-9H2,1-4H3