3-tert-butyl-1-carbamimidoyl-1-[3-(3-chloranylpyridin-2-yl)propyl]urea

Systemtic Name: 3-tert-butyl-1-carbamimidoyl-1-[3-(3-chloranylpyridin-2-yl)propyl]urea Openeye Name: 3-tert-butyl-1-carbamimidoyl-1-[3-(3-chloro-2-pyridyl)propyl]urea CAS Name: 3-tert-butyl-1-carbamimidoyl-1-[3-(3-chloro-2-pyridinyl)propyl]urea IUPAC Name: 3-tert-butyl-1-carbamimidoyl-1-[3-(3-chloropyridin-2-yl)propyl]urea Traditional Name: 1-amidino-3-tert-butyl-1-[3-(3-chloro-2-pyridyl)propyl]urea Formula: C14H22ClN5O MolecularWeight: 311.81038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CCCC1=C(C=CC=N1)Cl)C(=N)N

Isomeric SMILES

CC(C)(C)NC(=O)N(CCCC1=C(C=CC=N1)Cl)C(=N)N

InChI

InChI=1S/C14H22ClN5O/c1-14(2,3)19-13(21)20(12(16)17)9-5-7-11-10(15)6-4-8-18-11/h4,6,8H,5,7,9H2,1-3H3,(H3,16,17)(H,19,21)