7-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-ethyl-chromen-2-one

Systemtic Name: 7-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-ethyl-chromen-2-one Openeye Name: 7-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-ethyl-chromen-2-one CAS Name: 7-[[5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]oxy]-4-ethyl-1-benzopyran-2-one IUPAC Name: 7-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-ethylchromen-2-one Traditional Name: 7-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-ethyl-coumarin Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC3=C4C(=C(SC4=NC(=N3)C[NH+]5CCCC5)C)C

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC3=C4C(=C(SC4=NC(=N3)C[NH+]5CCCC5)C)C

InChI

InChI=1S/C24H25N3O3S/c1-4-16-11-21(28)30-19-12-17(7-8-18(16)19)29-23-22-14(2)15(3)31-24(22)26-20(25-23)13-27-9-5-6-10-27/h7-8,11-12H,4-6,9-10,13H2,1-3H3/p+1