methyl 2,5-dimethyl-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]thieno[2,3-d]pyrimidin-1-ium-6-carboxylate

Systemtic Name: methyl 2,5-dimethyl-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]thieno[2,3-d]pyrimidin-1-ium-6-carboxylate Openeye Name: methyl 2,5-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propylamino]thieno[2,3-d]pyrimidin-1-ium-6-carboxylate CAS Name: 2,5-dimethyl-4-[3-(2-oxo-1-pyrrolidinyl)propylamino]-6-thieno[2,3-d]pyrimidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propylamino]thieno[2,3-d]pyrimidin-1-ium-6-carboxylate Traditional Name: 4-[3-(2-ketopyrrolidino)propylamino]-2,5-dimethyl-thieno[2,3-d]pyrimidin-1-ium-6-carboxylic acid methyl ester Formula: C17H23N4O3S+ MolecularWeight: 363.45452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=[NH+]C(=NC(=C12)NCCCN3CCCC3=O)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=[NH+]C(=NC(=C12)NCCCN3CCCC3=O)C)C(=O)OC

InChI

InChI=1S/C17H22N4O3S/c1-10-13-15(18-7-5-9-21-8-4-6-12(21)22)19-11(2)20-16(13)25-14(10)17(23)24-3/h4-9H2,1-3H3,(H,18,19,20)/p+1