methyl 2,5-dimethyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidin-1-ium-6-carboxylate

Systemtic Name: methyl 2,5-dimethyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidin-1-ium-6-carboxylate Openeye Name: methyl 4-(allylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidin-1-ium-6-carboxylate CAS Name: 2,5-dimethyl-4-(prop-2-enylamino)-6-thieno[2,3-d]pyrimidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidin-1-ium-6-carboxylate Traditional Name: 4-(allylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidin-1-ium-6-carboxylic acid methyl ester Formula: C13H16N3O2S+ MolecularWeight: 278.35004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2S/c1-5-6-14-11-9-7(2)10(13(17)18-4)19-12(9)16-8(3)15-11/h5H,1,6H2,2-4H3,(H,14,15,16)/p+1