ethyl 5-methyl-2-(piperidin-1-ium-1-ylmethyl)-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-2-(piperidin-1-ium-1-ylmethyl)-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(allylamino)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(1-piperidin-1-iumylmethyl)-4-(prop-2-enylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(piperidin-1-ium-1-ylmethyl)-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(allylamino)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCCCC3)NCC=C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCCCC3)NCC=C)C

InChI

InChI=1S/C19H26N4O2S/c1-4-9-20-17-15-13(3)16(19(24)25-5-2)26-18(15)22-14(21-17)12-23-10-7-6-8-11-23/h4H,1,5-12H2,2-3H3,(H,20,21,22)/p+1