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

Systemtic Name: 3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-2-prop-2-enylsulfanyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-allylsulfanyl-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-(prop-2-enylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(allylthio)-3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-one Formula: C21H24N3O2S2+ MolecularWeight: 414.56416

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(C(=O)N1CC[NH+]3CCOCC3)SC(=C2)C4=CC=CC=C4

Isomeric SMILES

C=CCSC1=NC2=C(C(=O)N1CC[NH+]3CCOCC3)SC(=C2)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S2/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/h2-7,15H,1,8-14H2/p+1