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

Systemtic Name: N2-[4-(ethylamino)cyclohexyl]-N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-[4-(ethylamino)cyclohexyl]-9-isopropyl-N6-[(4-phenylphenyl)methyl]purine-2,6-diamine CAS Name: N2-[4-(ethylamino)cyclohexyl]-N6-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-[4-(ethylamino)cyclohexyl]-6-N-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: ethyl-[4-[[9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]amino]cyclohexyl]amine Formula: C29H37N7 MolecularWeight: 483.65098

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C

Isomeric SMILES

CCNC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C

InChI

InChI=1S/C29H37N7/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/h5-13,19-20,24-25,30H,4,14-18H2,1-3H3,(H2,31,33,34,35)