[3-[5-(4-chloranylphenoxy)pentyl]-4-oxidanylidene-1-pyridin-4-yl-1,3-diazinan-2-ylidene]cyanamide

Systemtic Name: [3-[5-(4-chloranylphenoxy)pentyl]-4-oxidanylidene-1-pyridin-4-yl-1,3-diazinan-2-ylidene]cyanamide Openeye Name: [3-[5-(4-chlorophenoxy)pentyl]-4-oxo-1-(4-pyridyl)hexahydropyrimidin-2-ylidene]cyanamide CAS Name: [3-[5-(4-chlorophenoxy)pentyl]-4-oxo-1-pyridin-4-yl-1,3-diazinan-2-ylidene]cyanamide IUPAC Name: [3-[5-(4-chlorophenoxy)pentyl]-4-oxo-1-pyridin-4-yl-1,3-diazinan-2-ylidene]cyanamide Traditional Name: [3-[5-(4-chlorophenoxy)pentyl]-4-keto-1-(4-pyridyl)hexahydropyrimidin-2-ylidene]cyanamide Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=NC#N)N(C1=O)CCCCCOC2=CC=C(C=C2)Cl)C3=CC=NC=C3

Isomeric SMILES

C1CN(C(=NC#N)N(C1=O)CCCCCOC2=CC=C(C=C2)Cl)C3=CC=NC=C3

InChI

InChI=1S/C21H22ClN5O2/c22-17-4-6-19(7-5-17)29-15-3-1-2-13-27-20(28)10-14-26(21(27)25-16-23)18-8-11-24-12-9-18/h4-9,11-12H,1-3,10,13-15H2