(aminocarbonylamino) 2-piperazin-1-yl-2-(1-pyrimidin-2-ylpropan-2-yl)hexanoate

Systemtic Name: (aminocarbonylamino) 2-piperazin-1-yl-2-(1-pyrimidin-2-ylpropan-2-yl)hexanoate Openeye Name: ureido 2-(1-methyl-2-pyrimidin-2-yl-ethyl)-2-piperazin-1-yl-hexanoate CAS Name: 2-(1-piperazinyl)-2-[1-(2-pyrimidinyl)propan-2-yl]hexanoic acid (carbamoylamino) ester IUPAC Name: (carbamoylamino) 2-piperazin-1-yl-2-(1-pyrimidin-2-ylpropan-2-yl)hexanoate Traditional Name: 2-[1-methyl-2-(2-pyrimidyl)ethyl]-2-piperazino-hexanoic acid ureido ester Formula: C18H30N6O3 MolecularWeight: 378.4692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)CC1=NC=CC=N1)(C(=O)ONC(=O)N)N2CCNCC2

Isomeric SMILES

CCCCC(C(C)CC1=NC=CC=N1)(C(=O)ONC(=O)N)N2CCNCC2

InChI

InChI=1S/C18H30N6O3/c1-3-4-6-18(16(25)27-23-17(19)26,24-11-9-20-10-12-24)14(2)13-15-21-7-5-8-22-15/h5,7-8,14,20H,3-4,6,9-13H2,1-2H3,(H3,19,23,26)