2-[4-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]carbonyloxyethyl-diethyl-azanium

Systemtic Name: 2-[4-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]carbonyloxyethyl-diethyl-azanium Openeye Name: 2-[4-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[4-[(6-ethoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]phenyl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[4-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoyl]oxyethyl-diethylazanium Traditional Name: 2-[4-[(6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoyl]oxyethyl-diethyl-ammonium Formula: C23H29N4O4S+ MolecularWeight: 457.56576

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC)C

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC)C

InChI

InChI=1S/C23H28N4O4S/c1-5-27(6-2)12-13-31-22(28)16-8-10-17(11-9-16)26-20-18-15(4)19(23(29)30-7-3)32-21(18)25-14-24-20/h8-11,14H,5-7,12-13H2,1-4H3,(H,24,25,26)/p+1