N2-(3-azanylpropyl)-N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(3-azanylpropyl)-N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(3-aminopropyl)-9-isopropyl-N6-[(4-phenylphenyl)methyl]purine-2,6-diamine CAS Name: N2-(3-aminopropyl)-N6-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(3-aminopropyl)-6-N-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: 3-aminopropyl-[9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]amine Formula: C24H29N7 MolecularWeight: 415.53396

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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)NCCCN

Isomeric SMILES

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

InChI

InChI=1S/C24H29N7/c1-17(2)31-16-28-21-22(29-24(30-23(21)31)26-14-6-13-25)27-15-18-9-11-20(12-10-18)19-7-4-3-5-8-19/h3-5,7-12,16-17H,6,13-15,25H2,1-2H3,(H2,26,27,29,30)