7-(heptan-4-ylamino)-5-methyl-3-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-2-one

Systemtic Name: 7-(heptan-4-ylamino)-5-methyl-3-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-2-one Openeye Name: 5-methyl-3-(4-methylsulfonylphenyl)-7-(1-propylbutylamino)-1H-imidazo[4,5-b]pyridin-2-one CAS Name: 7-(heptan-4-ylamino)-5-methyl-3-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-2-one IUPAC Name: 7-(heptan-4-ylamino)-5-methyl-3-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-2-one Traditional Name: 3-(4-mesylphenyl)-5-methyl-7-(1-propylbutylamino)-1H-imidazo[4,5-b]pyridin-2-one Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=CC(=NC2=C1NC(=O)N2C3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CCCC(CCC)NC1=CC(=NC2=C1NC(=O)N2C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C21H28N4O3S/c1-5-7-15(8-6-2)23-18-13-14(3)22-20-19(18)24-21(26)25(20)16-9-11-17(12-10-16)29(4,27)28/h9-13,15H,5-8H2,1-4H3,(H,22,23)(H,24,26)