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

Systemtic Name: 1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(2-methoxyphenyl)urea Openeye Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(2-methoxyphenyl)urea CAS Name: 1-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-(2-methoxyphenyl)urea IUPAC Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(2-methoxyphenyl)urea Traditional Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(2-methoxyphenyl)urea Formula: C20H17N5O2 MolecularWeight: 359.38128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

Isomeric SMILES

COC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C20H17N5O2/c1-27-18-8-3-2-7-17(18)25-20(26)24-16-6-4-5-14(11-16)9-10-15-12-22-19(21)23-13-15/h2-8,11-13H,1H3,(H2,21,22,23)(H2,24,25,26)