1-[(2S,3S)-3-methyl-1-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]urea

Systemtic Name: 1-[(2S,3S)-3-methyl-1-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]urea Openeye Name: [(1S,2S)-2-methyl-1-[4-(2-pyridyl)piperazine-1-carbonyl]butyl]urea CAS Name: [(2S,3S)-3-methyl-1-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]pentan-2-yl]urea IUPAC Name: [(2S,3S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]urea Traditional Name: [(1S,2S)-2-methyl-1-[4-(2-pyridyl)piperazine-1-carbonyl]butyl]urea Formula: C16H25N5O2 MolecularWeight: 319.402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=N2)NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=N2)NC(=O)N

InChI

InChI=1S/C16H25N5O2/c1-3-12(2)14(19-16(17)23)15(22)21-10-8-20(9-11-21)13-6-4-5-7-18-13/h4-7,12,14H,3,8-11H2,1-2H3,(H3,17,19,23)/t12-,14-/m0/s1