2-[[6-(furan-2-ylmethylcarbamoyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[6-(furan-2-ylmethylcarbamoyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[6-(2-furylmethylcarbamoyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[6-[(2-furanylmethylamino)-oxomethyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[6-(furan-2-ylmethylcarbamoyl)-5-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[6-(2-furfurylcarbamoyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]ethyl-dimethyl-ammonium Formula: C17H22N5O2S+ MolecularWeight: 360.45388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC[NH+](C)C)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC[NH+](C)C)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C17H21N5O2S/c1-11-13-15(18-6-7-22(2)3)20-10-21-17(13)25-14(11)16(23)19-9-12-5-4-8-24-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,23)(H,18,20,21)/p+1