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

Systemtic Name: (2S,3S)-3-[2-phenyl-6-[(phenylmethyl)amino]purin-9-yl]nonan-2-ol Openeye Name: (2S,3S)-3-[6-(benzylamino)-2-phenyl-purin-9-yl]nonan-2-ol CAS Name: (2S,3S)-3-[2-phenyl-6-[(phenylmethyl)amino]-9-purinyl]-2-nonanol IUPAC Name: (2S,3S)-3-[6-(benzylamino)-2-phenylpurin-9-yl]nonan-2-ol Traditional Name: (2S,3S)-3-[6-(benzylamino)-2-phenyl-purin-9-yl]nonan-2-ol Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC[C@@H]([C@H](C)O)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N5O/c1-3-4-5-12-17-23(20(2)33)32-19-29-24-26(28-18-21-13-8-6-9-14-21)30-25(31-27(24)32)22-15-10-7-11-16-22/h6-11,13-16,19-20,23,33H,3-5,12,17-18H2,1-2H3,(H,28,30,31)/t20-,23-/m0/s1