6-bromanyl-3-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 6-bromanyl-3-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 6-bromo-3-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 6-bromo-3-[3-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 6-bromo-3-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 6-bromo-3-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-one Formula: C19H21BrN3O3S+ MolecularWeight: 451.35734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C=NC3=C(C2=O)SC(=C3)Br)OCC[NH+]4CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)N2C=NC3=C(C2=O)SC(=C3)Br)OCC[NH+]4CCCC4

InChI

InChI=1S/C19H20BrN3O3S/c1-25-16-10-13(4-5-15(16)26-9-8-22-6-2-3-7-22)23-12-21-14-11-17(20)27-18(14)19(23)24/h4-5,10-12H,2-3,6-9H2,1H3/p+1