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

Systemtic Name: 5-ethyl-6-methyl-3-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-ethyl-6-methyl-2-phenacylsulfanyl-3-(tetrahydrofuran-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-3-(2-oxolanylmethyl)-2-(phenacylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-ethyl-6-methyl-3-(oxolan-2-ylmethyl)-2-phenacylsulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5-ethyl-6-methyl-2-(phenacylthio)-3-(tetrahydrofurfuryl)thieno[2,3-d]pyrimidin-4-one Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S2/c1-3-17-14(2)29-20-19(17)21(26)24(12-16-10-7-11-27-16)22(23-20)28-13-18(25)15-8-5-4-6-9-15/h4-6,8-9,16H,3,7,10-13H2,1-2H3