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

Systemtic Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-2-phenyl-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline Openeye Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-2-phenyl-hexahydropyrimidin-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline CAS Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-phenyl-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline IUPAC Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-phenyl-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline Traditional Name: [4-[[3-[4-[bis(2-chloroethyl)amino]-2-methyl-benzyl]-2-phenyl-hexahydropyrimidin-1-yl]methyl]-3-methyl-phenyl]-bis(2-chloroethyl)amine Formula: C34H44Cl4N4 MolecularWeight: 650.55196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H44Cl4N4/c1-27-23-32(39(19-13-35)20-14-36)11-9-30(27)25-41-17-6-18-42(34(41)29-7-4-3-5-8-29)26-31-10-12-33(24-28(31)2)40(21-15-37)22-16-38/h3-5,7-12,23-24,34H,6,13-22,25-26H2,1-2H3