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

Systemtic Name: 3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-2-propylsulfanyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-2-propylsulfanyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[2-(4-morpholin-4-iumyl)ethyl]-6-phenyl-2-(propylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-2-(propylthio)thieno[3,2-d]pyrimidin-4-one Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=O)N1CC[NH+]3CCOCC3)SC(=C2)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=NC2=C(C(=O)N1CC[NH+]3CCOCC3)SC(=C2)C4=CC=CC=C4

InChI

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