4-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-fluoranyl-aniline

Systemtic Name: 4-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-fluoranyl-aniline Openeye Name: 4-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]hexahydropyrimidin-2-yl]-N,N-bis(2-chloroethyl)-3-fluoro-aniline CAS Name: 4-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-fluoroaniline IUPAC Name: 4-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-fluoroaniline Traditional Name: [4-[1,3-bis[4-[bis(2-chloroethyl)amino]benzyl]hexahydropyrimidin-2-yl]-3-fluoro-phenyl]-bis(2-chloroethyl)amine Formula: C36H46Cl6FN5 MolecularWeight: 780.500343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)CC2=CC=C(C=C2)N(CCCl)CCCl)C3=C(C=C(C=C3)N(CCCl)CCCl)F)CC4=CC=C(C=C4)N(CCCl)CCCl

Isomeric SMILES

C1CN(C(N(C1)CC2=CC=C(C=C2)N(CCCl)CCCl)C3=C(C=C(C=C3)N(CCCl)CCCl)F)CC4=CC=C(C=C4)N(CCCl)CCCl

InChI

InChI=1S/C36H46Cl6FN5/c37-12-20-44(21-13-38)31-6-2-29(3-7-31)27-47-18-1-19-48(28-30-4-8-32(9-5-30)45(22-14-39)23-15-40)36(47)34-11-10-33(26-35(34)43)46(24-16-41)25-17-42/h2-11,26,36H,1,12-25,27-28H2