5-ethyl-6-methyl-3-(oxolan-2-ylmethyl)-2-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-ethyl-6-methyl-3-(oxolan-2-ylmethyl)-2-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-ethyl-6-methyl-3-(tetrahydrofuran-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-3-(2-oxolanylmethyl)-2-(phenylmethylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-benzylsulfanyl-5-ethyl-6-methyl-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-ethyl-6-methyl-3-(tetrahydrofurfuryl)thieno[2,3-d]pyrimidin-4-one Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3)CC4CCCO4)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3)CC4CCCO4)C

InChI

InChI=1S/C21H24N2O2S2/c1-3-17-14(2)27-19-18(17)20(24)23(12-16-10-7-11-25-16)21(22-19)26-13-15-8-5-4-6-9-15/h4-6,8-9,16H,3,7,10-13H2,1-2H3