5-ethyl-6-methyl-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-ethyl-6-methyl-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-ethyl-6-methyl-2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(tetrahydrofuran-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-(2-oxolanylmethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-ethyl-6-methyl-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-ethyl-2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]-6-methyl-3-(tetrahydrofurfuryl)thieno[2,3-d]pyrimidin-4-one Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCCC(C3)C)CC4CCCO4)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCCC(C3)C)CC4CCCO4)C

InChI

InChI=1S/C22H31N3O3S2/c1-4-17-15(3)30-20-19(17)21(27)25(12-16-8-6-10-28-16)22(23-20)29-13-18(26)24-9-5-7-14(2)11-24/h14,16H,4-13H2,1-3H3