1-(3-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]urea Openeye Name: 1-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-3-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]urea Traditional Name: 1-[[6-(4-methylpiperazino)-3-pyridyl]methyl]-3-(m-tolyl)urea Formula: C19H25N5O MolecularWeight: 339.4347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O/c1-15-4-3-5-17(12-15)22-19(25)21-14-16-6-7-18(20-13-16)24-10-8-23(2)9-11-24/h3-7,12-13H,8-11,14H2,1-2H3,(H2,21,22,25)