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

Systemtic Name: 7-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methyl-chromen-2-one Openeye Name: 7-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methyl-chromen-2-one CAS Name: 7-[[5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]oxy]-4-methyl-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-methylchromen-2-one Traditional Name: 7-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methyl-coumarin Formula: C23H24N3O3S+ MolecularWeight: 422.51996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C4C(=C(SC4=NC(=N3)C[NH+]5CCCC5)C)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C4C(=C(SC4=NC(=N3)C[NH+]5CCCC5)C)C

InChI

InChI=1S/C23H23N3O3S/c1-13-10-20(27)29-18-11-16(6-7-17(13)18)28-22-21-14(2)15(3)30-23(21)25-19(24-22)12-26-8-4-5-9-26/h6-7,10-11H,4-5,8-9,12H2,1-3H3/p+1