2-[[4-(3-indol-1-ylpropanoyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(3-indol-1-ylpropanoyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(3-indol-1-ylpropanoyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-[3-(1-indolyl)-1-oxopropyl]-1-piperazin-1-iumyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(3-indol-1-ylpropanoyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(3-indol-1-ylpropanoyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C24H28N5O2S+ MolecularWeight: 450.57642

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)CCN4C=CC5=CC=CC=C54)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)CCN4C=CC5=CC=CC=C54)C

InChI

InChI=1S/C24H27N5O2S/c1-16-17(2)32-24-22(16)23(31)25-20(26-24)15-27-11-13-29(14-12-27)21(30)8-10-28-9-7-18-5-3-4-6-19(18)28/h3-7,9H,8,10-15H2,1-2H3,(H,25,26,31)/p+1