1-[3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-2-yl)propyl]-3-phenethyl-urea

Systemtic Name: 1-[3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-2-yl)propyl]-3-phenethyl-urea Openeye Name: 1-[3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-2-yl)propyl]-3-phenethyl-urea CAS Name: 1-[3-(3-cyano-5,7-dimethyl-2-pyrazolo[1,5-a]pyrimidinyl)propyl]-3-phenethylurea IUPAC Name: 1-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]-3-phenethylurea Traditional Name: 1-[3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-2-yl)propyl]-3-phenethyl-urea Formula: C21H24N6O MolecularWeight: 376.45486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C(=NN12)CCCNC(=O)NCCC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=NC2=C(C(=NN12)CCCNC(=O)NCCC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C21H24N6O/c1-15-13-16(2)27-20(25-15)18(14-22)19(26-27)9-6-11-23-21(28)24-12-10-17-7-4-3-5-8-17/h3-5,7-8,13H,6,9-12H2,1-2H3,(H2,23,24,28)