(2S,3S)-3-[(9-cyclopentyl-2-phenyl-purin-6-yl)amino]nonan-2-ol

Systemtic Name: (2S,3S)-3-[(9-cyclopentyl-2-phenyl-purin-6-yl)amino]nonan-2-ol Openeye Name: (2S,3S)-3-[(9-cyclopentyl-2-phenyl-purin-6-yl)amino]nonan-2-ol CAS Name: (2S,3S)-3-[(9-cyclopentyl-2-phenyl-6-purinyl)amino]-2-nonanol IUPAC Name: (2S,3S)-3-[(9-cyclopentyl-2-phenylpurin-6-yl)amino]nonan-2-ol Traditional Name: (2S,3S)-3-[(9-cyclopentyl-2-phenyl-purin-6-yl)amino]nonan-2-ol Formula: C25H35N5O MolecularWeight: 421.5783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)O)NC1=NC(=NC2=C1N=CN2C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC[C@@H]([C@H](C)O)NC1=NC(=NC2=C1N=CN2C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H35N5O/c1-3-4-5-9-16-21(18(2)31)27-24-22-25(30(17-26-22)20-14-10-11-15-20)29-23(28-24)19-12-7-6-8-13-19/h6-8,12-13,17-18,20-21,31H,3-5,9-11,14-16H2,1-2H3,(H,27,28,29)/t18-,21-/m0/s1