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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)N3CCCCCC3)SC=C2C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)N3CCCCCC3)SC=C2C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S2/c1-23-20(26)18-16(15-9-5-4-6-10-15)13-27-19(18)22-21(23)28-14-17(25)24-11-7-2-3-8-12-24/h4-6,9-10,13H,2-3,7-8,11-12,14H2,1H3