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

Systemtic Name: N2-[(2S)-2-azanylpropyl]-N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-[(2S)-2-aminopropyl]-9-isopropyl-N6-[(4-phenylphenyl)methyl]purine-2,6-diamine CAS Name: N2-[(2S)-2-aminopropyl]-N6-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-[(2S)-2-aminopropyl]-6-N-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: [(2S)-2-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)NCC(C)N

Isomeric SMILES

C[C@@H](CNC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CC=CC=C4)N=CN2C(C)C)N

InChI

InChI=1S/C24H29N7/c1-16(2)31-15-28-21-22(29-24(30-23(21)31)27-13-17(3)25)26-14-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,15-17H,13-14,25H2,1-3H3,(H2,26,27,29,30)/t17-/m0/s1