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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C)SC4CCOC4=O)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C)S[C@H]4CCOC4=O)C

InChI

InChI=1S/C21H22N2O3S2/c1-4-15-13(3)17-18(27-15)22-21(28-16-9-10-26-20(16)25)23(19(17)24)11-14-7-5-12(2)6-8-14/h5-8,16H,4,9-11H2,1-3H3/t16-/m0/s1