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

Systemtic Name: 2-[1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl]thio]-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl]thio]-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H32N4O2S2 MolecularWeight: 436.63438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SC(C)C(=O)N3CCN(CC3)CC)C

Isomeric SMILES

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SC(C)C(=O)N3CCN(CC3)CC)C

InChI

InChI=1S/C21H32N4O2S2/c1-6-13(3)12-16-14(4)28-19-17(16)18(26)22-21(23-19)29-15(5)20(27)25-10-8-24(7-2)9-11-25/h13,15H,6-12H2,1-5H3,(H,22,23,26)