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

Systemtic Name: 5,6-dimethyl-2-[[4-(3-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[4-(3-phenoxybenzoyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-[oxo-(3-phenoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-(3-phenoxybenzoyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[4-(3-phenoxybenzoyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C26H27N4O3S+ MolecularWeight: 475.58258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC(=CC=C4)OC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC(=CC=C4)OC5=CC=CC=C5)C

InChI

InChI=1S/C26H26N4O3S/c1-17-18(2)34-25-23(17)24(31)27-22(28-25)16-29-11-13-30(14-12-29)26(32)19-7-6-10-21(15-19)33-20-8-4-3-5-9-20/h3-10,15H,11-14,16H2,1-2H3,(H,27,28,31)/p+1