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

Systemtic Name: 3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-2-[(3R)-2-oxidanylideneoxolan-3-yl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-2-[(3R)-2-oxotetrahydrofuran-3-yl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-2-[[(3R)-2-oxo-3-oxolanyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(3,4-dimethylphenyl)-5-ethyl-2-[[(3R)-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=CC(=C(C=C4)C)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)S[C@@H]3CCOC3=O)C4=CC(=C(C=C4)C)C)C

InChI

InChI=1S/C21H22N2O3S2/c1-5-15-13(4)27-18-17(15)19(24)23(14-7-6-11(2)12(3)10-14)21(22-18)28-16-8-9-26-20(16)25/h6-7,10,16H,5,8-9H2,1-4H3/t16-/m1/s1