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

Systemtic Name: 2-ethylsulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-ethylsulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-(ethylthio)-3-[2-(4-morpholin-4-iumyl)ethyl]-6-phenyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-ethylsulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(ethylthio)-3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-one Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S2/c1-2-26-20-21-16-14-17(15-6-4-3-5-7-15)27-18(16)19(24)23(20)9-8-22-10-12-25-13-11-22/h3-7,14H,2,8-13H2,1H3/p+1