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

Systemtic Name: N2-[4-(diethylamino)cyclohexyl]-N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-[4-(diethylamino)cyclohexyl]-9-isopropyl-N6-[(4-phenylphenyl)methyl]purine-2,6-diamine CAS Name: N2-[4-(diethylamino)cyclohexyl]-N6-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-[4-(diethylamino)cyclohexyl]-6-N-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: diethyl-[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:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41N7/c1-5-37(6-2)27-18-16-26(17-19-27)34-31-35-29(28-30(36-31)38(21-33-28)22(3)4)32-20-23-12-14-25(15-13-23)24-10-8-7-9-11-24/h7-15,21-22,26-27H,5-6,16-20H2,1-4H3,(H2,32,34,35,36)