pyridin-3-yl-[2-[(2,4,6-trimethylphenyl)amino]-4,5-dihydroimidazol-1-yl]methanone hydrate

Systemtic Name: pyridin-3-yl-[2-[(2,4,6-trimethylphenyl)amino]-4,5-dihydroimidazol-1-yl]methanone hydrate Openeye Name: 3-pyridyl-[2-(2,4,6-trimethylanilino)-4,5-dihydroimidazol-1-yl]methanone hydrate CAS Name: 3-pyridinyl-[2-(2,4,6-trimethylanilino)-4,5-dihydroimidazol-1-yl]methanone hydrate IUPAC Name: pyridin-3-yl-[2-(2,4,6-trimethylanilino)-4,5-dihydroimidazol-1-yl]methanone hydrate Traditional Name: (2-mesidino-2-imidazolin-1-yl)-(3-pyridyl)methanone hydrate Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=NCCN2C(=O)C3=CN=CC=C3)C.O

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=NCCN2C(=O)C3=CN=CC=C3)C.O

InChI

InChI=1S/C18H20N4O.H2O/c1-12-9-13(2)16(14(3)10-12)21-18-20-7-8-22(18)17(23)15-5-4-6-19-11-15;/h4-6,9-11H,7-8H2,1-3H3,(H,20,21);1H2