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

Systemtic Name: 4-[[2-[4-[bis(2-chloroethyl)amino]-2-chloranyl-phenyl]-3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline Openeye Name: 4-[[2-[4-[bis(2-chloroethyl)amino]-2-chloro-phenyl]-3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]hexahydropyrimidin-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline CAS Name: 4-[[2-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline IUPAC Name: 4-[[2-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline Traditional Name: [4-[1,3-bis[4-[bis(2-chloroethyl)amino]-2-methyl-benzyl]hexahydropyrimidin-2-yl]-3-chloro-phenyl]-bis(2-chloroethyl)amine Formula: C38H50Cl7N5 MolecularWeight: 825.0081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=C(C=C(C=C3)N(CCCl)CCCl)Cl)CC4=C(C=C(C=C4)N(CCCl)CCCl)C

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=C(C=C(C=C3)N(CCCl)CCCl)Cl)CC4=C(C=C(C=C4)N(CCCl)CCCl)C

InChI

InChI=1S/C38H50Cl7N5/c1-29-24-33(46(18-10-39)19-11-40)6-4-31(29)27-49-16-3-17-50(28-32-5-7-34(25-30(32)2)47(20-12-41)21-13-42)38(49)36-9-8-35(26-37(36)45)48(22-14-43)23-15-44/h4-9,24-26,38H,3,10-23,27-28H2,1-2H3