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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

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