1-(4-methylphenyl)-3-[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-(4-methylphenyl)-3-[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-[6-(4-isobutylpiperazin-1-yl)-3-pyridyl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[6-[4-(2-methylpropyl)-1-piperazinyl]-3-pyridinyl]urea IUPAC Name: 1-(4-methylphenyl)-3-[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-[6-(4-isobutylpiperazino)-3-pyridyl]-3-(p-tolyl)urea Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=CN=C(C=C2)N3CCN(CC3)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=CN=C(C=C2)N3CCN(CC3)CC(C)C

InChI

InChI=1S/C21H29N5O/c1-16(2)15-25-10-12-26(13-11-25)20-9-8-19(14-22-20)24-21(27)23-18-6-4-17(3)5-7-18/h4-9,14,16H,10-13,15H2,1-3H3,(H2,23,24,27)