2-[[6-ethoxycarbonyl-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[6-ethoxycarbonyl-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[6-ethoxycarbonyl-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[6-ethoxycarbonyl-5-methyl-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[6-ethoxycarbonyl-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[6-carbethoxy-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethyl-ammonium Formula: C19H31N5O3S+2 MolecularWeight: 409.54614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCOCC3)NCC[NH+](C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCOCC3)NCC[NH+](C)C)C

InChI

InChI=1S/C19H29N5O3S/c1-5-27-19(25)16-13(2)15-17(20-6-7-23(3)4)21-14(22-18(15)28-16)12-24-8-10-26-11-9-24/h5-12H2,1-4H3,(H,20,21,22)/p+2