5-(ethoxymethyl)-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-[[methyl-(phenylmethyl)amino]methyl]thieno[2,3-b]pyridin-4-one hydrochloride

Systemtic Name: 5-(ethoxymethyl)-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-[[methyl-(phenylmethyl)amino]methyl]thieno[2,3-b]pyridin-4-one hydrochloride Openeye Name: 3-[[benzyl(methyl)amino]methyl]-5-(ethoxymethyl)-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)thieno[2,3-b]pyridin-4-one hydrochloride CAS Name: 5-(ethoxymethyl)-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-[[methyl-(phenylmethyl)amino]methyl]-4-thieno[2,3-b]pyridinone hydrochloride IUPAC Name: 3-[[benzyl(methyl)amino]methyl]-5-(ethoxymethyl)-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)thieno[2,3-b]pyridin-4-one hydrochloride Traditional Name: 3-[[benzyl(methyl)amino]methyl]-5-(ethoxymethyl)-7-(2-fluorobenzyl)-2-(4-methoxyphenyl)thieno[2,3-b]pyridin-4-one hydrochloride Formula: C33H34ClFN2O3S MolecularWeight: 593.151063

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CN(C2=C(C1=O)C(=C(S2)C3=CC=C(C=C3)OC)CN(C)CC4=CC=CC=C4)CC5=CC=CC=C5F.Cl

Isomeric SMILES

CCOCC1=CN(C2=C(C1=O)C(=C(S2)C3=CC=C(C=C3)OC)CN(C)CC4=CC=CC=C4)CC5=CC=CC=C5F.Cl

InChI

InChI=1S/C33H33FN2O3S.ClH/c1-4-39-22-26-20-36(19-25-12-8-9-13-29(25)34)33-30(31(26)37)28(21-35(2)18-23-10-6-5-7-11-23)32(40-33)24-14-16-27(38-3)17-15-24;/h5-17,20H,4,18-19,21-22H2,1-3H3;1H