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

Systemtic Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]carbonyloxyethyl-diethyl-azanium Openeye Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[4-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]phenyl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoyl]oxyethyl-diethylazanium Traditional Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoyl]oxyethyl-diethyl-ammonium Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-5-25(6-2)11-12-27-21(26)16-7-9-17(10-8-16)24-19-18-14(3)15(4)28-20(18)23-13-22-19/h7-10,13H,5-6,11-12H2,1-4H3,(H,22,23,24)/p+1