3-(2-morpholin-4-ium-4-ylethyl)-2-phenacylsulfanyl-6-phenyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(2-morpholin-4-ium-4-ylethyl)-2-phenacylsulfanyl-6-phenyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(2-morpholin-4-ium-4-ylethyl)-2-phenacylsulfanyl-6-phenyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[2-(4-morpholin-4-iumyl)ethyl]-2-(phenacylthio)-6-phenyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(2-morpholin-4-ium-4-ylethyl)-2-phenacylsulfanyl-6-phenylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(2-morpholin-4-ium-4-ylethyl)-2-(phenacylthio)-6-phenyl-thieno[3,2-d]pyrimidin-4-one Formula: C26H26N3O3S2+ MolecularWeight: 492.63294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=O)C3=C(C=C(S3)C4=CC=CC=C4)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CCN2C(=O)C3=C(C=C(S3)C4=CC=CC=C4)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O3S2/c30-22(19-7-3-1-4-8-19)18-33-26-27-21-17-23(20-9-5-2-6-10-20)34-24(21)25(31)29(26)12-11-28-13-15-32-16-14-28/h1-10,17H,11-16,18H2/p+1