1-(2-chloroethyl)-3-[4-(5-cyanopyrimidin-2-yl)phenyl]urea

Systemtic Name: 1-(2-chloroethyl)-3-[4-(5-cyanopyrimidin-2-yl)phenyl]urea Openeye Name: 1-(2-chloroethyl)-3-[4-(5-cyanopyrimidin-2-yl)phenyl]urea CAS Name: 1-(2-chloroethyl)-3-[4-(5-cyano-2-pyrimidinyl)phenyl]urea IUPAC Name: 1-(2-chloroethyl)-3-[4-(5-cyanopyrimidin-2-yl)phenyl]urea Traditional Name: 1-(2-chloroethyl)-3-[4-(5-cyanopyrimidin-2-yl)phenyl]urea Formula: C14H12ClN5O MolecularWeight: 301.73098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC=C(C=N2)C#N)NC(=O)NCCCl

Isomeric SMILES

C1=CC(=CC=C1C2=NC=C(C=N2)C#N)NC(=O)NCCCl

InChI

InChI=1S/C14H12ClN5O/c15-5-6-17-14(21)20-12-3-1-11(2-4-12)13-18-8-10(7-16)9-19-13/h1-4,8-9H,5-6H2,(H2,17,20,21)