2-[(3-methylphenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(2-morpholin-4-ium-4-ylethyl)-2-(m-tolylmethylsulfanyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(3-methylphenyl)methylthio]-3-[2-(4-morpholin-4-iumyl)ethyl]-6-phenyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(3-methylbenzyl)thio]-3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-one Formula: C26H28N3O2S2+ MolecularWeight: 478.64942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2CC[NH+]4CCOCC4)SC(=C3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2CC[NH+]4CCOCC4)SC(=C3)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O2S2/c1-19-6-5-7-20(16-19)18-32-26-27-22-17-23(21-8-3-2-4-9-21)33-24(22)25(30)29(26)11-10-28-12-14-31-15-13-28/h2-9,16-17H,10-15,18H2,1H3/p+1