methyl 5-methyl-2-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-2-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-(4-benzylpiperazin-4-ium-1-yl)-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-phenyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-4-ium-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C26H26N4O2S/c1-18-21-24(30-15-13-29(14-16-30)17-19-9-5-3-6-10-19)27-23(20-11-7-4-8-12-20)28-25(21)33-22(18)26(31)32-2/h3-12H,13-17H2,1-2H3/p+1