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

Systemtic Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-1,3-diazinan-2-yl]-4-chloranyl-phenol Openeye Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]hexahydropyrimidin-2-yl]-4-chloro-phenol CAS Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-4-chlorophenol IUPAC Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-4-chlorophenol Traditional Name: 2-[1,3-bis[4-[bis(2-chloroethyl)amino]-2-methyl-benzyl]hexahydropyrimidin-2-yl]-4-chloro-phenol Formula: C34H43Cl5N4O MolecularWeight: 700.99642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H43Cl5N4O/c1-25-20-30(40(16-10-35)17-11-36)7-4-27(25)23-42-14-3-15-43(34(42)32-22-29(39)6-9-33(32)44)24-28-5-8-31(21-26(28)2)41(18-12-37)19-13-38/h4-9,20-22,34,44H,3,10-19,23-24H2,1-2H3