(4S)-2,2-dimethyl-4-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]hexan-3-ol

Systemtic Name: (4S)-2,2-dimethyl-4-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]hexan-3-ol Openeye Name: (4S)-4-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]-2,2-dimethyl-hexan-3-ol CAS Name: (4S)-2,2-dimethyl-4-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-3-hexanol IUPAC Name: (4S)-4-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-2,2-dimethylhexan-3-ol Traditional Name: (4S)-4-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]-2,2-dimethyl-hexan-3-ol Formula: C23H34N6O MolecularWeight: 410.55566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C)(C)C)O)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C

Isomeric SMILES

CC[C@@H](C(C(C)(C)C)O)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C

InChI

InChI=1S/C23H34N6O/c1-7-17(19(30)23(4,5)6)26-22-27-20(24-13-16-11-9-8-10-12-16)18-21(28-22)29(14-25-18)15(2)3/h8-12,14-15,17,19,30H,7,13H2,1-6H3,(H2,24,26,27,28)/t17-,19?/m0/s1