1-[3-methyl-5-oxidanyl-2-(thieno[3,2-b]pyridin-7-ylamino)phenyl]butan-1-one

Systemtic Name: 1-[3-methyl-5-oxidanyl-2-(thieno[3,2-b]pyridin-7-ylamino)phenyl]butan-1-one Openeye Name: 1-[5-hydroxy-3-methyl-2-(thieno[3,2-b]pyridin-7-ylamino)phenyl]butan-1-one CAS Name: 1-[5-hydroxy-3-methyl-2-(7-thieno[3,2-b]pyridinylamino)phenyl]-1-butanone IUPAC Name: 1-[5-hydroxy-3-methyl-2-(thieno[3,2-b]pyridin-7-ylamino)phenyl]butan-1-one Traditional Name: 1-[5-hydroxy-3-methyl-2-(thieno[3,2-b]pyridin-7-ylamino)phenyl]butan-1-one Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=CC(=C1NC2=C3C(=NC=C2)C=CS3)C)O

Isomeric SMILES

CCCC(=O)C1=CC(=CC(=C1NC2=C3C(=NC=C2)C=CS3)C)O

InChI

InChI=1S/C18H18N2O2S/c1-3-4-16(22)13-10-12(21)9-11(2)17(13)20-15-5-7-19-14-6-8-23-18(14)15/h5-10,21H,3-4H2,1-2H3,(H,19,20)