1-(2,5-dimethylpyrazol-3-yl)-3-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]urea

Systemtic Name: 1-(2,5-dimethylpyrazol-3-yl)-3-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]urea Openeye Name: 1-(2,5-dimethylpyrazol-3-yl)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridyl]methyl]urea CAS Name: 1-(2,5-dimethyl-3-pyrazolyl)-3-[[2-(4-methyl-1-piperazinyl)-4-pyridinyl]methyl]urea IUPAC Name: 1-(2,5-dimethylpyrazol-3-yl)-3-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]urea Traditional Name: 1-(2,5-dimethylpyrazol-3-yl)-3-[[2-(4-methylpiperazino)-4-pyridyl]methyl]urea Formula: C17H25N7O MolecularWeight: 343.4267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)NCC2=CC(=NC=C2)N3CCN(CC3)C)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)NCC2=CC(=NC=C2)N3CCN(CC3)C)C

InChI

InChI=1S/C17H25N7O/c1-13-10-16(23(3)21-13)20-17(25)19-12-14-4-5-18-15(11-14)24-8-6-22(2)7-9-24/h4-5,10-11H,6-9,12H2,1-3H3,(H2,19,20,25)