7-butoxy-5-(2,2-dimethylpropyl)-6-(hydroxymethyl)thieno[3,2-c]pyridin-4-one

Systemtic Name: 7-butoxy-5-(2,2-dimethylpropyl)-6-(hydroxymethyl)thieno[3,2-c]pyridin-4-one Openeye Name: 7-butoxy-5-(2,2-dimethylpropyl)-6-(hydroxymethyl)thieno[3,2-c]pyridin-4-one CAS Name: 7-butoxy-5-(2,2-dimethylpropyl)-6-(hydroxymethyl)-4-thieno[3,2-c]pyridinone IUPAC Name: 7-butoxy-5-(2,2-dimethylpropyl)-6-(hydroxymethyl)thieno[3,2-c]pyridin-4-one Traditional Name: 7-butoxy-6-methylol-5-neopentyl-thieno[3,2-c]pyridin-4-one Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1SC=C2)CC(C)(C)C)CO

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1SC=C2)CC(C)(C)C)CO

InChI

InChI=1S/C17H25NO3S/c1-5-6-8-21-14-13(10-19)18(11-17(2,3)4)16(20)12-7-9-22-15(12)14/h7,9,19H,5-6,8,10-11H2,1-4H3