1-(2,6-dimethylphenyl)-3-(piperazin-2-ylmethyl)urea; ethanoic acid

Systemtic Name: 1-(2,6-dimethylphenyl)-3-(piperazin-2-ylmethyl)urea; ethanoic acid Openeye Name: acetic acid; 1-(2,6-dimethylphenyl)-3-(piperazin-2-ylmethyl)urea CAS Name: acetic acid; 1-(2,6-dimethylphenyl)-3-(2-piperazinylmethyl)urea IUPAC Name: acetic acid; 1-(2,6-dimethylphenyl)-3-(piperazin-2-ylmethyl)urea Traditional Name: acetic acid; 1-(2,6-dimethylphenyl)-3-(piperazin-2-ylmethyl)urea Formula: C18H30N4O5 MolecularWeight: 382.4546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)NCC2CNCCN2.CC(=O)O.CC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)NCC2CNCCN2.CC(=O)O.CC(=O)O

InChI

InChI=1S/C14H22N4O.2C2H4O2/c1-10-4-3-5-11(2)13(10)18-14(19)17-9-12-8-15-6-7-16-12;2*1-2(3)4/h3-5,12,15-16H,6-9H2,1-2H3,(H2,17,18,19);2*1H3,(H,3,4)