1-(2-butyl-1H-imidazo[4,5-b]pyridin-5-yl)-3-(phenylmethyl)-1,3-diazinan-2-one

Systemtic Name: 1-(2-butyl-1H-imidazo[4,5-b]pyridin-5-yl)-3-(phenylmethyl)-1,3-diazinan-2-one Openeye Name: 1-benzyl-3-(2-butyl-1H-imidazo[4,5-b]pyridin-5-yl)hexahydropyrimidin-2-one CAS Name: 1-(2-butyl-1H-imidazo[4,5-b]pyridin-5-yl)-3-(phenylmethyl)-1,3-diazinan-2-one IUPAC Name: 1-benzyl-3-(2-butyl-1H-imidazo[4,5-b]pyridin-5-yl)-1,3-diazinan-2-one Traditional Name: 1-benzyl-3-(2-butyl-1H-imidazo[4,5-b]pyridin-5-yl)hexahydropyrimidin-2-one Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1)C=CC(=N2)N3CCCN(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC2=C(N1)C=CC(=N2)N3CCCN(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O/c1-2-3-10-18-22-17-11-12-19(24-20(17)23-18)26-14-7-13-25(21(26)27)15-16-8-5-4-6-9-16/h4-6,8-9,11-12H,2-3,7,10,13-15H2,1H3,(H,22,23,24)