N2-[4-(dibutylamino)cyclohexyl]-N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-[4-(dibutylamino)cyclohexyl]-N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-[4-(dibutylamino)cyclohexyl]-9-isopropyl-N6-[(4-phenylphenyl)methyl]purine-2,6-diamine CAS Name: N2-[4-(dibutylamino)cyclohexyl]-N6-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-[4-(dibutylamino)cyclohexyl]-6-N-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: dibutyl-[4-[[9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]amino]cyclohexyl]amine Formula: C35H49N7 MolecularWeight: 567.81046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C

Isomeric SMILES

CCCCN(CCCC)C1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C

InChI

InChI=1S/C35H49N7/c1-5-7-22-41(23-8-6-2)31-20-18-30(19-21-31)38-35-39-33(32-34(40-35)42(25-37-32)26(3)4)36-24-27-14-16-29(17-15-27)28-12-10-9-11-13-28/h9-17,25-26,30-31H,5-8,18-24H2,1-4H3,(H2,36,38,39,40)