ethyl 2-[(1S)-1-(4-aminocarbonylpiperidin-1-ium-1-yl)ethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(1S)-1-(4-aminocarbonylpiperidin-1-ium-1-yl)ethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(1S)-1-(4-carbamoylpiperidin-1-ium-1-yl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(1S)-1-(4-carbamoyl-1-piperidin-1-iumyl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1S)-1-(4-carbamoylpiperidin-1-ium-1-yl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1S)-1-(4-carbamoylpiperidin-1-ium-1-yl)ethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H25N4O4S+ MolecularWeight: 393.4805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)[NH+]3CCC(CC3)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)[NH+]3CCC(CC3)C(=O)N)C

InChI

InChI=1S/C18H24N4O4S/c1-4-26-18(25)13-9(2)12-16(24)20-15(21-17(12)27-13)10(3)22-7-5-11(6-8-22)14(19)23/h10-11H,4-8H2,1-3H3,(H2,19,23)(H,20,21,24)/p+1/t10-/m0/s1