ethyl 3-methyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylcarbamoylamino]butanoate

Systemtic Name: ethyl 3-methyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylcarbamoylamino]butanoate Openeye Name: ethyl 3-methyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylcarbamoylamino]butanoate CAS Name: 3-methyl-3-[[oxo-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butylamino]methyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylcarbamoylamino]butanoate Traditional Name: 3-methyl-3-[4-[4-(2-pyrimidyl)piperazino]butylcarbamoylamino]butyric acid ethyl ester Formula: C20H34N6O3 MolecularWeight: 406.52236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)NC(=O)NCCCCN1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

CCOC(=O)CC(C)(C)NC(=O)NCCCCN1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C20H34N6O3/c1-4-29-17(27)16-20(2,3)24-19(28)23-8-5-6-11-25-12-14-26(15-13-25)18-21-9-7-10-22-18/h7,9-10H,4-6,8,11-16H2,1-3H3,(H2,23,24,28)