1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(4-tert-butyl-1,3-thiazol-2-yl)urea

Systemtic Name: 1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(4-tert-butyl-1,3-thiazol-2-yl)urea Openeye Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(4-tert-butylthiazol-2-yl)urea CAS Name: 1-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-(4-tert-butyl-2-thiazolyl)urea IUPAC Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(4-tert-butyl-1,3-thiazol-2-yl)urea Traditional Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(4-tert-butylthiazol-2-yl)urea Formula: C20H20N6OS MolecularWeight: 392.4774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)NC(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)NC(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C20H20N6OS/c1-20(2,3)16-12-28-19(25-16)26-18(27)24-15-6-4-5-13(9-15)7-8-14-10-22-17(21)23-11-14/h4-6,9-12H,1-3H3,(H2,21,22,23)(H2,24,25,26,27)