N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxo-2-(1-piperidin-1-iumylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCCCC3)C(=O)NCCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCCCC3)C(=O)NCCC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H28N4O3S/c1-15-19-21(28)25-18(14-27-12-4-3-5-13-27)26-23(19)31-20(15)22(29)24-11-10-16-6-8-17(30-2)9-7-16/h6-9H,3-5,10-14H2,1-2H3,(H,24,29)(H,25,26,28)/p+1