1-[3-(aminocarbonylamino)-5-[bis(2-chloroethyl)amino]phenyl]urea

Systemtic Name: 1-[3-(aminocarbonylamino)-5-[bis(2-chloroethyl)amino]phenyl]urea Openeye Name: [3-[bis(2-chloroethyl)amino]-5-ureido-phenyl]urea CAS Name: [3-[bis(2-chloroethyl)amino]-5-(carbamoylamino)phenyl]urea IUPAC Name: [3-[bis(2-chloroethyl)amino]-5-(carbamoylamino)phenyl]urea Traditional Name: [3-[bis(2-chloroethyl)amino]-5-ureido-phenyl]urea Formula: C12H17Cl2N5O2 MolecularWeight: 334.20168

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1NC(=O)N)N(CCCl)CCCl)NC(=O)N

Isomeric SMILES

C1=C(C=C(C=C1NC(=O)N)N(CCCl)CCCl)NC(=O)N

InChI

InChI=1S/C12H17Cl2N5O2/c13-1-3-19(4-2-14)10-6-8(17-11(15)20)5-9(7-10)18-12(16)21/h5-7H,1-4H2,(H3,15,17,20)(H3,16,18,21)