2-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-ethyl-6-methyl-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-ethyl-6-methyl-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-ethyl-6-methyl-3-(tetrahydrofuran-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzoxazol-2-ylmethylthio)-5-ethyl-6-methyl-3-(2-oxolanylmethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-ethyl-6-methyl-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1,3-benzoxazol-2-ylmethylthio)-5-ethyl-6-methyl-3-(tetrahydrofurfuryl)thieno[2,3-d]pyrimidin-4-one Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4O3)CC5CCCO5)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4O3)CC5CCCO5)C

InChI

InChI=1S/C22H23N3O3S2/c1-3-15-13(2)30-20-19(15)21(26)25(11-14-7-6-10-27-14)22(24-20)29-12-18-23-16-8-4-5-9-17(16)28-18/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3