ethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(prop-2-ynylamino)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(prop-2-ynylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(prop-2-ynylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(4-morpholin-4-iumylmethyl)-4-(prop-2-ynylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(prop-2-ynylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(propargylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S/c1-4-6-19-16-14-12(3)15(18(23)25-5-2)26-17(14)21-13(20-16)11-22-7-9-24-10-8-22/h1H,5-11H2,2-3H3,(H,19,20,21)/p+1