actinium; ethyl-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]azanide

Systemtic Name: actinium; ethyl-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]azanide Openeye Name: actinium; ethyl-[4-[[9-isopropyl-6-[(4-phenylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]azanide CAS Name: actinium; ethyl-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]azanide IUPAC Name: actinium; ethyl-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]azanide Traditional Name: actinium; ethyl-[4-[[9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]amino]cyclohexyl]azanide Formula: C29H36AcN7- MolecularWeight: 709.670787

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N-]C1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C.[Ac]

Isomeric SMILES

CC[N-]C1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C.[Ac]

InChI

InChI=1S/C29H36N7.Ac/c1-4-30-24-14-16-25(17-15-24)33-29-34-27(26-28(35-29)36(19-32-26)20(2)3)31-18-21-10-12-23(13-11-21)22-8-6-5-7-9-22;/h5-13,19-20,24-25H,4,14-18H2,1-3H3,(H2,31,33,34,35);/q-1;