1-(4-methylphenyl)-3-[(4-phenylazanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]urea

Systemtic Name: 1-(4-methylphenyl)-3-[(4-phenylazanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]urea Openeye Name: 1-[[4-anilino-6-(1-piperidyl)-1,3,5-triazin-2-yl]amino]-3-(p-tolyl)urea CAS Name: 1-[[4-anilino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)urea IUPAC Name: 1-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-(4-methylphenyl)urea Traditional Name: 1-[(4-anilino-6-piperidino-s-triazin-2-yl)amino]-3-(p-tolyl)urea Formula: C22H26N8O MolecularWeight: 418.49484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C22H26N8O/c1-16-10-12-18(13-11-16)24-22(31)29-28-20-25-19(23-17-8-4-2-5-9-17)26-21(27-20)30-14-6-3-7-15-30/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H2,24,29,31)(H2,23,25,26,27,28)