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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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