1-(2-methylphenyl)-3-(6-piperazin-1-ylpyridin-3-yl)urea

Systemtic Name: 1-(2-methylphenyl)-3-(6-piperazin-1-ylpyridin-3-yl)urea Openeye Name: 1-(o-tolyl)-3-(6-piperazin-1-yl-3-pyridyl)urea CAS Name: 1-(2-methylphenyl)-3-[6-(1-piperazinyl)-3-pyridinyl]urea IUPAC Name: 1-(2-methylphenyl)-3-(6-piperazin-1-ylpyridin-3-yl)urea Traditional Name: 1-(o-tolyl)-3-(6-piperazino-3-pyridyl)urea Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CN=C(C=C2)N3CCNCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CN=C(C=C2)N3CCNCC3

InChI

InChI=1S/C17H21N5O/c1-13-4-2-3-5-15(13)21-17(23)20-14-6-7-16(19-12-14)22-10-8-18-9-11-22/h2-7,12,18H,8-11H2,1H3,(H2,20,21,23)