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

Systemtic Name: N2-[4-(butylamino)cyclohexyl]-N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-[4-(butylamino)cyclohexyl]-9-isopropyl-N6-[(4-phenylphenyl)methyl]purine-2,6-diamine CAS Name: N2-[4-(butylamino)cyclohexyl]-N6-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-[4-(butylamino)cyclohexyl]-6-N-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: butyl-[4-[[9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]amino]cyclohexyl]amine Formula: C31H41N7 MolecularWeight: 511.70414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C

Isomeric SMILES

CCCCNC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C

InChI

InChI=1S/C31H41N7/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/h6-14,21-22,26-27,32H,4-5,15-20H2,1-3H3,(H2,33,35,36,37)