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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-(4-ethylphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O2S/c1-2-16-7-9-17(10-8-16)18-14-28-21-20(18)22(27)25(15-23-21)13-19(26)24-11-5-3-4-6-12-24/h7-10,14-15H,2-6,11-13H2,1H3