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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H21N3O2S2 MolecularWeight: 351.48684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S2/c1-10-11(2)23-15-13(10)14(21)17-16(18-15)22-9-12(20)19-7-5-3-4-6-8-19/h3-9H2,1-2H3,(H,17,18,21)