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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3,5,6-trimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3,5,6-trimethyl-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)N(C(=N2)SCC(=O)N3CCCCCC3)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCCCCC3)C)C

InChI

InChI=1S/C17H23N3O2S2/c1-11-12(2)24-15-14(11)16(22)19(3)17(18-15)23-10-13(21)20-8-6-4-5-7-9-20/h4-10H2,1-3H3