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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[(1S)-1-piperidin-1-ium-1-ylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-piperidin-1-ium-1-ylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(1S)-1-(1-piperidin-1-iumyl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-piperidin-1-ium-1-ylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(1S)-1-piperidin-1-ium-1-ylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)[NH+]3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)[NH+]3CCCCC3)C

InChI

InChI=1S/C17H23N3O3S/c1-4-23-17(22)13-10(2)12-15(21)18-14(19-16(12)24-13)11(3)20-8-6-5-7-9-20/h11H,4-9H2,1-3H3,(H,18,19,21)/p+1/t11-/m0/s1