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

Systemtic Name: N2-(4-azanylbutyl)-N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminobutyl)-9-isopropyl-N6-[(4-phenylphenyl)methyl]purine-2,6-diamine CAS Name: N2-(4-aminobutyl)-N6-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminobutyl)-6-N-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: 4-aminobutyl-[9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]amine Formula: C25H31N7 MolecularWeight: 429.56054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)NCCCCN

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)NCCCCN

InChI

InChI=1S/C25H31N7/c1-18(2)32-17-29-22-23(30-25(31-24(22)32)27-15-7-6-14-26)28-16-19-10-12-21(13-11-19)20-8-4-3-5-9-20/h3-5,8-13,17-18H,6-7,14-16,26H2,1-2H3,(H2,27,28,30,31)