6-[(3-ethyl-4-methyl-phenyl)methylamino]-3-(5-methylsulfanylpentyl)-5H-imidazo[4,5-c]pyridin-4-one

Systemtic Name: 6-[(3-ethyl-4-methyl-phenyl)methylamino]-3-(5-methylsulfanylpentyl)-5H-imidazo[4,5-c]pyridin-4-one Openeye Name: 6-[(3-ethyl-4-methyl-phenyl)methylamino]-3-(5-methylsulfanylpentyl)-5H-imidazo[4,5-c]pyridin-4-one CAS Name: 6-[(3-ethyl-4-methylphenyl)methylamino]-3-[5-(methylthio)pentyl]-5H-imidazo[4,5-c]pyridin-4-one IUPAC Name: 6-[(3-ethyl-4-methylphenyl)methylamino]-3-(5-methylsulfanylpentyl)-5H-imidazo[4,5-c]pyridin-4-one Traditional Name: 6-[(3-ethyl-4-methyl-benzyl)amino]-3-[5-(methylthio)pentyl]-5H-imidazo[4,5-c]pyridin-4-one Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CNC2=CC3=C(C(=O)N2)N(C=N3)CCCCCSC)C

Isomeric SMILES

CCC1=C(C=CC(=C1)CNC2=CC3=C(C(=O)N2)N(C=N3)CCCCCSC)C

InChI

InChI=1S/C22H30N4OS/c1-4-18-12-17(9-8-16(18)2)14-23-20-13-19-21(22(27)25-20)26(15-24-19)10-6-5-7-11-28-3/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3,(H2,23,25,27)