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

Systemtic Name: (2S,3S)-3-[6-(methylamino)-2-phenyl-purin-9-yl]nonan-2-ol Openeye Name: (2S,3S)-3-[6-(methylamino)-2-phenyl-purin-9-yl]nonan-2-ol CAS Name: (2S,3S)-3-[6-(methylamino)-2-phenyl-9-purinyl]-2-nonanol IUPAC Name: (2S,3S)-3-[6-(methylamino)-2-phenylpurin-9-yl]nonan-2-ol Traditional Name: (2S,3S)-3-[6-(methylamino)-2-phenyl-purin-9-yl]nonan-2-ol Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)O)N1C=NC2=C1N=C(N=C2NC)C3=CC=CC=C3

Isomeric SMILES

CCCCCC[C@@H]([C@H](C)O)N1C=NC2=C1N=C(N=C2NC)C3=CC=CC=C3

InChI

InChI=1S/C21H29N5O/c1-4-5-6-10-13-17(15(2)27)26-14-23-18-20(22-3)24-19(25-21(18)26)16-11-8-7-9-12-16/h7-9,11-12,14-15,17,27H,4-6,10,13H2,1-3H3,(H,22,24,25)/t15-,17-/m0/s1