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

Systemtic Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-1,3-diazinan-2-yl]phenol Openeye Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]hexahydropyrimidin-2-yl]phenol CAS Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]phenol IUPAC Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]phenol Traditional Name: 2-[1,3-bis[4-[bis(2-chloroethyl)amino]-2-methyl-benzyl]hexahydropyrimidin-2-yl]phenol Formula: C34H44Cl4N4O MolecularWeight: 666.55136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=CC=CC=C3O)CC4=C(C=C(C=C4)N(CCCl)CCCl)C

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=CC=CC=C3O)CC4=C(C=C(C=C4)N(CCCl)CCCl)C

InChI

InChI=1S/C34H44Cl4N4O/c1-26-22-30(39(18-12-35)19-13-36)10-8-28(26)24-41-16-5-17-42(34(41)32-6-3-4-7-33(32)43)25-29-9-11-31(23-27(29)2)40(20-14-37)21-15-38/h3-4,6-11,22-23,34,43H,5,12-21,24-25H2,1-2H3