2-[[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H25N3O2S2 MolecularWeight: 379.54

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C18H25N3O2S2/c1-11-12(2)25-17-15(11)16(22)19-14(20-17)10-24-13(3)18(23)21-8-6-4-5-7-9-21/h13H,4-10H2,1-3H3,(H,19,20,22)