1-(aziridin-1-yl)-3-[[4-[(aziridin-1-ylcarbamoylamino)methyl]phenyl]methyl]urea

Systemtic Name: 1-(aziridin-1-yl)-3-[[4-[(aziridin-1-ylcarbamoylamino)methyl]phenyl]methyl]urea Openeye Name: 1-(aziridin-1-yl)-3-[[4-[(aziridin-1-ylcarbamoylamino)methyl]phenyl]methyl]urea CAS Name: 1-(1-aziridinyl)-3-[[4-[[[(1-aziridinylamino)-oxomethyl]amino]methyl]phenyl]methyl]urea IUPAC Name: 1-(aziridin-1-yl)-3-[[4-[(aziridin-1-ylcarbamoylamino)methyl]phenyl]methyl]urea Traditional Name: 1-ethylenimino-3-[4-[(ethyleniminocarbamoylamino)methyl]benzyl]urea Formula: C14H20N6O2 MolecularWeight: 304.3476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN1NC(=O)NCC2=CC=C(C=C2)CNC(=O)NN3CC3

Isomeric SMILES

C1CN1NC(=O)NCC2=CC=C(C=C2)CNC(=O)NN3CC3

InChI

InChI=1S/C14H20N6O2/c21-13(17-19-5-6-19)15-9-11-1-2-12(4-3-11)10-16-14(22)18-20-7-8-20/h1-4H,5-10H2,(H2,15,17,21)(H2,16,18,22)