1-[(2-methylphenyl)methyl]-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]urea

Systemtic Name: 1-[(2-methylphenyl)methyl]-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]urea Openeye Name: 1-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-3-(o-tolylmethyl)urea CAS Name: 1-[(2-methylphenyl)methyl]-3-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]urea IUPAC Name: 1-[(2-methylphenyl)methyl]-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]urea Traditional Name: 1-(2-methylbenzyl)-3-[[6-(4-methylpiperazino)-3-pyridyl]methyl]urea Formula: C20H27N5O MolecularWeight: 353.46128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)NCC2=CN=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)NCC2=CN=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C20H27N5O/c1-16-5-3-4-6-18(16)15-23-20(26)22-14-17-7-8-19(21-13-17)25-11-9-24(2)10-12-25/h3-8,13H,9-12,14-15H2,1-2H3,(H2,22,23,26)