5,6-dimethyl-2-[[4-(2-thiophen-2-ylcarbonylphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[4-(2-thiophen-2-ylcarbonylphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-[oxo-[2-[oxo(thiophen-2-yl)methyl]phenyl]methyl]-1-piperazin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[4-[2-(2-thenoyl)benzoyl]piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H25N4O3S2+ MolecularWeight: 493.621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4C(=O)C5=CC=CS5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4C(=O)C5=CC=CS5)C

InChI

InChI=1S/C25H24N4O3S2/c1-15-16(2)34-24-21(15)23(31)26-20(27-24)14-28-9-11-29(12-10-28)25(32)18-7-4-3-6-17(18)22(30)19-8-5-13-33-19/h3-8,13H,9-12,14H2,1-2H3,(H,26,27,31)/p+1