1-[5-[2-(2-azanylpyrimidin-5-yl)ethynyl]pyridin-3-yl]-3-[(2-methylphenyl)methyl]urea

Systemtic Name: 1-[5-[2-(2-azanylpyrimidin-5-yl)ethynyl]pyridin-3-yl]-3-[(2-methylphenyl)methyl]urea Openeye Name: 1-[5-[2-(2-aminopyrimidin-5-yl)ethynyl]-3-pyridyl]-3-(o-tolylmethyl)urea CAS Name: 1-[5-[2-(2-amino-5-pyrimidinyl)ethynyl]-3-pyridinyl]-3-[(2-methylphenyl)methyl]urea IUPAC Name: 1-[5-[2-(2-aminopyrimidin-5-yl)ethynyl]pyridin-3-yl]-3-[(2-methylphenyl)methyl]urea Traditional Name: 1-[5-[2-(2-aminopyrimidin-5-yl)ethynyl]-3-pyridyl]-3-(2-methylbenzyl)urea Formula: C20H18N6O MolecularWeight: 358.39652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)NC2=CN=CC(=C2)C#CC3=CN=C(N=C3)N

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)NC2=CN=CC(=C2)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C20H18N6O/c1-14-4-2-3-5-17(14)12-25-20(27)26-18-8-15(9-22-13-18)6-7-16-10-23-19(21)24-11-16/h2-5,8-11,13H,12H2,1H3,(H2,21,23,24)(H2,25,26,27)