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

Systemtic Name: 1-[(2-methylphenyl)methyl]-3-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]urea Openeye Name: 1-(o-tolylmethyl)-3-[6-(3-oxopiperazin-1-yl)-3-pyridyl]urea CAS Name: 1-[(2-methylphenyl)methyl]-3-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]urea IUPAC Name: 1-[(2-methylphenyl)methyl]-3-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]urea Traditional Name: 1-[6-(3-ketopiperazino)-3-pyridyl]-3-(2-methylbenzyl)urea Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C18H21N5O2/c1-13-4-2-3-5-14(13)10-21-18(25)22-15-6-7-16(20-11-15)23-9-8-19-17(24)12-23/h2-7,11H,8-10,12H2,1H3,(H,19,24)(H2,21,22,25)