N-[4-(4-azanylimidazo[4,5-c]quinolin-1-yl)butyl]-2-pentylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-(4-azanylimidazo[4,5-c]quinolin-1-yl)butyl]-2-pentylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-pentylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-(4-amino-1-imidazo[4,5-c]quinolinyl)butyl]-2-(pentylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-pentylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-(amylthio)nicotinamide Formula: C25H30N6OS MolecularWeight: 462.6103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NCCCCN2C=NC3=C2C4=CC=CC=C4N=C3N

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)NCCCCN2C=NC3=C2C4=CC=CC=C4N=C3N

InChI

InChI=1S/C25H30N6OS/c1-2-3-8-16-33-25-19(11-9-14-28-25)24(32)27-13-6-7-15-31-17-29-21-22(31)18-10-4-5-12-20(18)30-23(21)26/h4-5,9-12,14,17H,2-3,6-8,13,15-16H2,1H3,(H2,26,30)(H,27,32)