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

Systemtic Name: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methyl-aniline Openeye Name: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]hexahydropyrimidin-2-yl]-N,N-bis(2-chloroethyl)-3-methyl-aniline CAS Name: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline IUPAC Name: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline Traditional Name: bis(2-chloroethyl)-[4-(1,3-diveratrylhexahydropyrimidin-2-yl)-3-methyl-phenyl]amine Formula: C33H43Cl2N3O4 MolecularWeight: 616.61822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCCl)CCCl)C2N(CCCN2CC3=CC(=C(C=C3)OC)OC)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCCl)CCCl)C2N(CCCN2CC3=CC(=C(C=C3)OC)OC)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C33H43Cl2N3O4/c1-24-19-27(36(17-13-34)18-14-35)9-10-28(24)33-37(22-25-7-11-29(39-2)31(20-25)41-4)15-6-16-38(33)23-26-8-12-30(40-3)32(21-26)42-5/h7-12,19-21,33H,6,13-18,22-23H2,1-5H3