1-carbamimidoyl-1-[3-(3-chloranylpyridin-2-yl)propyl]-3-prop-2-ynyl-urea

Systemtic Name: 1-carbamimidoyl-1-[3-(3-chloranylpyridin-2-yl)propyl]-3-prop-2-ynyl-urea Openeye Name: 1-carbamimidoyl-1-[3-(3-chloro-2-pyridyl)propyl]-3-prop-2-ynyl-urea CAS Name: 1-carbamimidoyl-1-[3-(3-chloro-2-pyridinyl)propyl]-3-prop-2-ynylurea IUPAC Name: 1-carbamimidoyl-1-[3-(3-chloropyridin-2-yl)propyl]-3-prop-2-ynylurea Traditional Name: 1-amidino-1-[3-(3-chloro-2-pyridyl)propyl]-3-propargyl-urea Formula: C13H16ClN5O MolecularWeight: 293.75204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)N(CCCC1=C(C=CC=N1)Cl)C(=N)N

Isomeric SMILES

C#CCNC(=O)N(CCCC1=C(C=CC=N1)Cl)C(=N)N

InChI

InChI=1S/C13H16ClN5O/c1-2-7-18-13(20)19(12(15)16)9-4-6-11-10(14)5-3-8-17-11/h1,3,5,8H,4,6-7,9H2,(H3,15,16)(H,18,20)