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

Systemtic Name: 7-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-ethyl-chromen-2-one Openeye Name: 7-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-ethyl-chromen-2-one CAS Name: 7-[[5,6-dimethyl-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]oxy]-4-ethyl-1-benzopyran-2-one IUPAC Name: 7-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-ethylchromen-2-one Traditional Name: 7-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-ethyl-coumarin Formula: C24H26N3O4S+ MolecularWeight: 452.54594

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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+]5CCOCC5)C)C

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC3=C4C(=C(SC4=NC(=N3)C[NH+]5CCOCC5)C)C

InChI

InChI=1S/C24H25N3O4S/c1-4-16-11-21(28)31-19-12-17(5-6-18(16)19)30-23-22-14(2)15(3)32-24(22)26-20(25-23)13-27-7-9-29-10-8-27/h5-6,11-12H,4,7-10,13H2,1-3H3/p+1