1-acetamido-3-(phenylmethyl)-1-pyridin-2-yl-urea hydrate

Systemtic Name: 1-acetamido-3-(phenylmethyl)-1-pyridin-2-yl-urea hydrate Openeye Name: 1-acetamido-3-benzyl-1-(2-pyridyl)urea hydrate CAS Name: 1-acetamido-3-(phenylmethyl)-1-(2-pyridinyl)urea hydrate IUPAC Name: 1-acetamido-3-benzyl-1-pyridin-2-ylurea hydrate Traditional Name: 1-acetamido-3-benzyl-1-(2-pyridyl)urea hydrate Formula: C30H34N8O5 MolecularWeight: 586.64156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN(C1=CC=CC=N1)C(=O)NCC2=CC=CC=C2.CC(=O)NN(C1=CC=CC=N1)C(=O)NCC2=CC=CC=C2.O

Isomeric SMILES

CC(=O)NN(C1=CC=CC=N1)C(=O)NCC2=CC=CC=C2.CC(=O)NN(C1=CC=CC=N1)C(=O)NCC2=CC=CC=C2.O

InChI

InChI=1S/2C15H16N4O2.H2O/c2*1-12(20)18-19(14-9-5-6-10-16-14)15(21)17-11-13-7-3-2-4-8-13;/h2*2-10H,11H2,1H3,(H,17,21)(H,18,20);1H2