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

Systemtic Name: 3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-2-propan-2-ylsulfanyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-isopropylsulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[2-(4-morpholin-4-iumyl)ethyl]-6-phenyl-2-(propan-2-ylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-2-propan-2-ylsulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(isopropylthio)-3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-one Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C(=O)N1CC[NH+]3CCOCC3)SC(=C2)C4=CC=CC=C4

Isomeric SMILES

CC(C)SC1=NC2=C(C(=O)N1CC[NH+]3CCOCC3)SC(=C2)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S2/c1-15(2)27-21-22-17-14-18(16-6-4-3-5-7-16)28-19(17)20(25)24(21)9-8-23-10-12-26-13-11-23/h3-7,14-15H,8-13H2,1-2H3/p+1