3-[(2S)-butan-2-yl]-1-ethyl-1-(pyridin-4-ylmethyl)urea

Systemtic Name: 3-[(2S)-butan-2-yl]-1-ethyl-1-(pyridin-4-ylmethyl)urea Openeye Name: 1-ethyl-3-[(1S)-1-methylpropyl]-1-(4-pyridylmethyl)urea CAS Name: 3-[(2S)-butan-2-yl]-1-ethyl-1-(pyridin-4-ylmethyl)urea IUPAC Name: 3-[(2S)-butan-2-yl]-1-ethyl-1-(pyridin-4-ylmethyl)urea Traditional Name: 1-ethyl-3-[(1S)-1-methylpropyl]-1-(4-pyridylmethyl)urea Formula: C13H21N3O MolecularWeight: 235.32534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)N(CC)CC1=CC=NC=C1

Isomeric SMILES

CC[C@H](C)NC(=O)N(CC)CC1=CC=NC=C1

InChI

InChI=1S/C13H21N3O/c1-4-11(3)15-13(17)16(5-2)10-12-6-8-14-9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,15,17)/t11-/m0/s1