6-methyl-5-(2-methylbutyl)-2-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-(2-methylbutyl)-2-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-(2-methylbutyl)-2-[1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(2-methylbutyl)-2-[[1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(2-methylbutyl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-1-methyl-2-(4-methylpiperidino)ethyl]thio]-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H31N3O2S2 MolecularWeight: 421.61974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SC(C)C(=O)N3CCC(CC3)C)C

Isomeric SMILES

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SC(C)C(=O)N3CCC(CC3)C)C

InChI

InChI=1S/C21H31N3O2S2/c1-6-12(2)11-16-14(4)27-19-17(16)18(25)22-21(23-19)28-15(5)20(26)24-9-7-13(3)8-10-24/h12-13,15H,6-11H2,1-5H3,(H,22,23,25)