(2S,3S)-3-[2-phenyl-6-[[(1R)-1-phenylethyl]amino]purin-9-yl]nonan-2-ol

Systemtic Name: (2S,3S)-3-[2-phenyl-6-[[(1R)-1-phenylethyl]amino]purin-9-yl]nonan-2-ol Openeye Name: (2S,3S)-3-[2-phenyl-6-[[(1R)-1-phenylethyl]amino]purin-9-yl]nonan-2-ol CAS Name: (2S,3S)-3-[2-phenyl-6-[[(1R)-1-phenylethyl]amino]-9-purinyl]-2-nonanol IUPAC Name: (2S,3S)-3-[2-phenyl-6-[[(1R)-1-phenylethyl]amino]purin-9-yl]nonan-2-ol Traditional Name: (2S,3S)-3-[2-phenyl-6-[[(1R)-1-phenylethyl]amino]purin-9-yl]nonan-2-ol Formula: C28H35N5O MolecularWeight: 457.6104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)O)N1C=NC2=C1N=C(N=C2NC(C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC[C@@H]([C@H](C)O)N1C=NC2=C1N=C(N=C2N[C@H](C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H35N5O/c1-4-5-6-13-18-24(21(3)34)33-19-29-25-27(30-20(2)22-14-9-7-10-15-22)31-26(32-28(25)33)23-16-11-8-12-17-23/h7-12,14-17,19-21,24,34H,4-6,13,18H2,1-3H3,(H,30,31,32)/t20-,21+,24+/m1/s1