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

Systemtic Name: 2-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[2-(1-azepanyl)-2-oxoethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[2-(azepan-1-yl)-2-oxoethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[2-(azepan-1-yl)-2-keto-ethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H23N3O2S2 MolecularWeight: 365.51342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2S2/c1-11-12(2)24-17-15(11)16(22)18-13(19-17)9-23-10-14(21)20-7-5-3-4-6-8-20/h3-10H2,1-2H3,(H,18,19,22)