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

Systemtic Name: actinium; butyl-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]azanide Openeye Name: actinium; butyl-[4-[[9-isopropyl-6-[(4-phenylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]azanide CAS Name: actinium; butyl-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]azanide IUPAC Name: actinium; butyl-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]azanide Traditional Name: actinium; butyl-[4-[[9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]amino]cyclohexyl]azanide Formula: C31H40AcN7- MolecularWeight: 737.723947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[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/C31H40N7.Ac/c1-4-5-19-32-26-15-17-27(18-16-26)35-31-36-29(28-30(37-31)38(21-34-28)22(2)3)33-20-23-11-13-25(14-12-23)24-9-7-6-8-10-24;/h6-14,21-22,26-27H,4-5,15-20H2,1-3H3,(H2,33,35,36,37);/q-1;