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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H25N3O2S2 MolecularWeight: 439.5935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCCCCC3)SC=C2C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCCCCC3)SC=C2C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S2/c1-2-12-26-22(28)20-18(17-10-6-5-7-11-17)15-29-21(20)24-23(26)30-16-19(27)25-13-8-3-4-9-14-25/h2,5-7,10-11,15H,1,3-4,8-9,12-14,16H2