1-bis(2,2-dimethylaziridin-1-yl)phosphoryl-3-[2-(2-nitroimidazol-1-yl)ethyl]urea

Systemtic Name: 1-bis(2,2-dimethylaziridin-1-yl)phosphoryl-3-[2-(2-nitroimidazol-1-yl)ethyl]urea Openeye Name: 1-bis(2,2-dimethylaziridin-1-yl)phosphoryl-3-[2-(2-nitroimidazol-1-yl)ethyl]urea CAS Name: 1-[bis(2,2-dimethyl-1-aziridinyl)phosphoryl]-3-[2-(2-nitro-1-imidazolyl)ethyl]urea IUPAC Name: 1-bis(2,2-dimethylaziridin-1-yl)phosphoryl-3-[2-(2-nitroimidazol-1-yl)ethyl]urea Traditional Name: 1-bis(2,2-dimethylethylenimin-1-yl)phosphoryl-3-[2-(2-nitroimidazol-1-yl)ethyl]urea Formula: C14H24N7O4P MolecularWeight: 385.358621

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN1P(=O)(NC(=O)NCCN2C=CN=C2[N+](=O)[O-])N3CC3(C)C)C

Isomeric SMILES

CC1(CN1P(=O)(NC(=O)NCCN2C=CN=C2[N+](=O)[O-])N3CC3(C)C)C

InChI

InChI=1S/C14H24N7O4P/c1-13(2)9-19(13)26(25,20-10-14(20,3)4)17-11(22)15-5-7-18-8-6-16-12(18)21(23)24/h6,8H,5,7,9-10H2,1-4H3,(H2,15,17,22,25)