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

Systemtic Name: 1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(3-oxidanyl-1-phenyl-propyl)urea Openeye Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(3-hydroxy-1-phenyl-propyl)urea CAS Name: 1-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-(3-hydroxy-1-phenylpropyl)urea IUPAC Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(3-hydroxy-1-phenylpropyl)urea Traditional Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(3-hydroxy-1-phenyl-propyl)urea Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2/c23-21-24-14-17(15-25-21)10-9-16-5-4-8-19(13-16)26-22(29)27-20(11-12-28)18-6-2-1-3-7-18/h1-8,13-15,20,28H,11-12H2,(H2,23,24,25)(H2,26,27,29)