1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea

Systemtic Name: 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea Openeye Name: 1-(5-methylisoxazol-3-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea CAS Name: 1-(5-methyl-3-isoxazolyl)-3-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]urea IUPAC Name: 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea Traditional Name: 1-(5-methylisoxazol-3-yl)-3-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]urea Formula: C16H24N7O2+ MolecularWeight: 346.40746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)NCCC[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)NCCC[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H23N7O2/c1-13-12-14(21-25-13)20-16(24)19-6-3-7-22-8-10-23(11-9-22)15-17-4-2-5-18-15/h2,4-5,12H,3,6-11H2,1H3,(H2,19,20,21,24)/p+1