1-[2,6-bis(3-carbamimidoylphenoxy)pyridin-3-yl]-3-methyl-urea

Systemtic Name: 1-[2,6-bis(3-carbamimidoylphenoxy)pyridin-3-yl]-3-methyl-urea Openeye Name: 1-[2,6-bis(3-carbamimidoylphenoxy)-3-pyridyl]-3-methyl-urea CAS Name: 1-[2,6-bis(3-carbamimidoylphenoxy)-3-pyridinyl]-3-methylurea IUPAC Name: 1-[2,6-bis(3-carbamimidoylphenoxy)pyridin-3-yl]-3-methylurea Traditional Name: 1-[2,6-bis(3-amidinophenoxy)-3-pyridyl]-3-methyl-urea Formula: C21H21N7O3 MolecularWeight: 419.43654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=C(N=C(C=C1)OC2=CC=CC(=C2)C(=N)N)OC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CNC(=O)NC1=C(N=C(C=C1)OC2=CC=CC(=C2)C(=N)N)OC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C21H21N7O3/c1-26-21(29)27-16-8-9-17(30-14-6-2-4-12(10-14)18(22)23)28-20(16)31-15-7-3-5-13(11-15)19(24)25/h2-11H,1H3,(H3,22,23)(H3,24,25)(H2,26,27,29)