1-(2-chloroethyl)-3-[2-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]ethanoylamino]urea

Systemtic Name: 1-(2-chloroethyl)-3-[2-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]ethanoylamino]urea Openeye Name: 1-(2-chloroethyl)-3-[[2-[(5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]acetyl]amino]urea CAS Name: 1-(2-chloroethyl)-3-[[2-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]-1-oxoethyl]amino]urea IUPAC Name: 1-(2-chloroethyl)-3-[[2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]acetyl]amino]urea Traditional Name: 1-(2-chloroethyl)-3-[[2-[(3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]acetyl]amino]urea Formula: C13H21ClN4O3 MolecularWeight: 316.78384

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)NCC(=O)NNC(=O)NCCCl)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)NCC(=O)NNC(=O)NCCCl)C

InChI

InChI=1S/C13H21ClN4O3/c1-13(2)6-9(5-10(19)7-13)16-8-11(20)17-18-12(21)15-4-3-14/h5,16H,3-4,6-8H2,1-2H3,(H,17,20)(H2,15,18,21)