1-carbamimidoyl-3-ethyl-1-pyridin-4-yl-urea; 6-oxabicyclo[3.2.1]octa-1(8),2,4-triene

Systemtic Name: 1-carbamimidoyl-3-ethyl-1-pyridin-4-yl-urea; 6-oxabicyclo[3.2.1]octa-1(8),2,4-triene Openeye Name: 1-carbamimidoyl-3-ethyl-1-(4-pyridyl)urea; 6-oxabicyclo[3.2.1]octa-1(8),2,4-triene CAS Name: 1-carbamimidoyl-3-ethyl-1-pyridin-4-ylurea; 6-oxabicyclo[3.2.1]octa-1(8),2,4-triene IUPAC Name: 1-carbamimidoyl-3-ethyl-1-pyridin-4-ylurea; 6-oxabicyclo[3.2.1]octa-1(8),2,4-triene Traditional Name: 1-amidino-3-ethyl-1-(4-pyridyl)urea; 6-oxabicyclo[3.2.1]octa-1(8),2,4-triene Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(C1=CC=NC=C1)C(=N)N.C1C2=CC(=CC=C2)O1

Isomeric SMILES

CCNC(=O)N(C1=CC=NC=C1)C(=N)N.C1C2=CC(=CC=C2)O1

InChI

InChI=1S/C9H13N5O.C7H6O/c1-2-13-9(15)14(8(10)11)7-3-5-12-6-4-7;1-2-6-4-7(3-1)8-5-6/h3-6H,2H2,1H3,(H3,10,11)(H,13,15);1-4H,5H2