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

Systemtic Name: 5,6-dimethyl-2-[[4-(4-phenoxybutanoyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[4-(4-phenoxybutanoyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-(1-oxo-4-phenoxybutyl)-1-piperazin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-(4-phenoxybutanoyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[4-(4-phenoxybutanoyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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)CCCOC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)CCCOC4=CC=CC=C4)C

InChI

InChI=1S/C23H28N4O3S/c1-16-17(2)31-23-21(16)22(29)24-19(25-23)15-26-10-12-27(13-11-26)20(28)9-6-14-30-18-7-4-3-5-8-18/h3-5,7-8H,6,9-15H2,1-2H3,(H,24,25,29)/p+1