methyl 2-(azocan-1-ium-1-ylmethyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-(azocan-1-ium-1-ylmethyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-(azocan-1-ium-1-ylmethyl)-5-(2-methoxy-2-oxo-ethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(1-azocan-1-iumylmethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(azocan-1-ium-1-ylmethyl)-5-(2-methoxy-2-oxoethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-4-keto-5-(2-keto-2-methoxy-ethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C19H26N3O5S+ MolecularWeight: 408.49184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCCCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCCCCCC3)C(=O)OC

InChI

InChI=1S/C19H25N3O5S/c1-26-14(23)10-12-15-17(24)20-13(11-22-8-6-4-3-5-7-9-22)21-18(15)28-16(12)19(25)27-2/h3-11H2,1-2H3,(H,20,21,24)/p+1