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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-methyl-3,5-diphenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-3,5-diphenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)N4CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)N4CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S2/c1-19-23(20-12-6-4-7-13-20)24-25(34-19)28-27(30(26(24)32)21-14-8-5-9-15-21)33-18-22(31)29-16-10-2-3-11-17-29/h4-9,12-15H,2-3,10-11,16-18H2,1H3