methyl 2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C19H21N4O5S+ MolecularWeight: 417.45884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C(=O)OC

InChI

InChI=1S/C19H20N4O5S/c1-11-14-16(24)20-13(21-17(14)29-15(11)19(26)27-2)10-22-5-7-23(8-6-22)18(25)12-4-3-9-28-12/h3-4,9H,5-8,10H2,1-2H3,(H,20,21,24)/p+1