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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-methyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-methyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-methylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-methyl-thieno[3,2-d]pyrimidin-4-one Formula: C15H19N3O2S2 MolecularWeight: 337.46026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=CS2)N=C1SCC(=O)N3CCCCCC3

Isomeric SMILES

CN1C(=O)C2=C(C=CS2)N=C1SCC(=O)N3CCCCCC3

InChI

InChI=1S/C15H19N3O2S2/c1-17-14(20)13-11(6-9-21-13)16-15(17)22-10-12(19)18-7-4-2-3-5-8-18/h6,9H,2-5,7-8,10H2,1H3