1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(3-chlorophenyl)urea

Systemtic Name: 1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(3-chlorophenyl)urea Openeye Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(3-chlorophenyl)urea CAS Name: 1-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-(3-chlorophenyl)urea IUPAC Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(3-chlorophenyl)urea Traditional Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(3-chlorophenyl)urea Formula: C19H14ClN5O MolecularWeight: 363.80036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)Cl)C#CC3=CN=C(N=C3)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)Cl)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C19H14ClN5O/c20-15-4-2-6-17(10-15)25-19(26)24-16-5-1-3-13(9-16)7-8-14-11-22-18(21)23-12-14/h1-6,9-12H,(H2,21,22,23)(H2,24,25,26)