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

Systemtic Name: 5-ethyl-6-methyl-3-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-ethyl-6-methyl-2-(3-pyridylmethylsulfanyl)-3-(tetrahydrofuran-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-3-(2-oxolanylmethyl)-2-(3-pyridinylmethylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-ethyl-6-methyl-3-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-ethyl-6-methyl-2-(3-pyridylmethylthio)-3-(tetrahydrofurfuryl)thieno[2,3-d]pyrimidin-4-one Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S2/c1-3-16-13(2)27-18-17(16)19(24)23(11-15-7-5-9-25-15)20(22-18)26-12-14-6-4-8-21-10-14/h4,6,8,10,15H,3,5,7,9,11-12H2,1-2H3