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

Systemtic Name: 7-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-propyl-chromen-2-one Openeye Name: 7-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-propyl-chromen-2-one CAS Name: 7-[[5,6-dimethyl-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]oxy]-4-propyl-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-propylchromen-2-one Traditional Name: 7-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-propyl-coumarin Formula: C25H28N3O4S+ MolecularWeight: 466.57252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC3=C4C(=C(SC4=NC(=N3)C[NH+]5CCOCC5)C)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC3=C4C(=C(SC4=NC(=N3)C[NH+]5CCOCC5)C)C

InChI

InChI=1S/C25H27N3O4S/c1-4-5-17-12-22(29)32-20-13-18(6-7-19(17)20)31-24-23-15(2)16(3)33-25(23)27-21(26-24)14-28-8-10-30-11-9-28/h6-7,12-13H,4-5,8-11,14H2,1-3H3/p+1