2-(4-chlorophenyl)ethyl-bis[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: 2-(4-chlorophenyl)ethyl-bis[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium Openeye Name: 2-(4-chlorophenyl)ethyl-bis[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium CAS Name: 2-(4-chlorophenyl)ethyl-bis[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: 2-(4-chlorophenyl)ethyl-bis[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium Traditional Name: 2-(4-chlorophenyl)ethyl-bis[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium Formula: C22H19ClN5O2S2+ MolecularWeight: 485.00156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC[NH+](CC2=NC(=O)C3=C(N2)C=CS3)CC4=NC(=O)C5=C(N4)C=CS5)Cl

Isomeric SMILES

C1=CC(=CC=C1CC[NH+](CC2=NC(=O)C3=C(N2)C=CS3)CC4=NC(=O)C5=C(N4)C=CS5)Cl

InChI

InChI=1S/C22H18ClN5O2S2/c23-14-3-1-13(2-4-14)5-8-28(11-17-24-15-6-9-31-19(15)21(29)26-17)12-18-25-16-7-10-32-20(16)22(30)27-18/h1-4,6-7,9-10H,5,8,11-12H2,(H,24,26,29)(H,25,27,30)/p+1