2-[(5S)-5-[(2-aminophenyl)methyl]pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]-9-propan-2-yl-purin-6-amine

Systemtic Name: 2-[(5S)-5-[(2-aminophenyl)methyl]pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]-9-propan-2-yl-purin-6-amine Openeye Name: 2-[(5S)-5-[(2-aminophenyl)methyl]pyrrolidin-2-yl]-9-isopropyl-N-[(4-methoxyphenyl)methyl]purin-6-amine CAS Name: 2-[(5S)-5-[(2-aminophenyl)methyl]-2-pyrrolidinyl]-N-[(4-methoxyphenyl)methyl]-9-propan-2-yl-6-purinamine IUPAC Name: 2-[(5S)-5-[(2-aminophenyl)methyl]pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurin-6-amine Traditional Name: [2-[(5S)-5-(2-aminobenzyl)pyrrolidin-2-yl]-9-isopropyl-purin-6-yl]-p-anisyl-amine Formula: C27H33N7O MolecularWeight: 471.59722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)C4CCC(N4)CC5=CC=CC=C5N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)C4CC[C@H](N4)CC5=CC=CC=C5N

InChI

InChI=1S/C27H33N7O/c1-17(2)34-16-30-24-26(29-15-18-8-11-21(35-3)12-9-18)32-25(33-27(24)34)23-13-10-20(31-23)14-19-6-4-5-7-22(19)28/h4-9,11-12,16-17,20,23,31H,10,13-15,28H2,1-3H3,(H,29,32,33)/t20-,23?/m0/s1