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

Systemtic Name: 1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(3-cyanophenyl)urea Openeye Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(3-cyanophenyl)urea CAS Name: 1-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-(3-cyanophenyl)urea IUPAC Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(3-cyanophenyl)urea Traditional Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(3-cyanophenyl)urea Formula: C20H14N6O MolecularWeight: 354.36476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N6O/c21-11-15-4-2-6-18(10-15)26-20(27)25-17-5-1-3-14(9-17)7-8-16-12-23-19(22)24-13-16/h1-6,9-10,12-13H,(H2,22,23,24)(H2,25,26,27)