N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-dimethyl-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)N(C=N2)C)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4

InChI

InChI=1S/C23H28N4O3S/c1-15-19-22(25-14-26(2)23(19)29)31-20(15)21(28)24-13-18(27-11-5-4-6-12-27)16-7-9-17(30-3)10-8-16/h7-10,14,18H,4-6,11-13H2,1-3H3,(H,24,28)/p+1/t18-/m0/s1