(7R,8S)-7-(6-chloranylpurin-9-yl)-8-phenylmethoxy-nonan-2-ol

Systemtic Name: (7R,8S)-7-(6-chloranylpurin-9-yl)-8-phenylmethoxy-nonan-2-ol Openeye Name: (7R,8S)-8-benzyloxy-7-(6-chloropurin-9-yl)nonan-2-ol CAS Name: (7R,8S)-7-(6-chloro-9-purinyl)-8-phenylmethoxy-2-nonanol IUPAC Name: (7R,8S)-7-(6-chloropurin-9-yl)-8-phenylmethoxynonan-2-ol Traditional Name: (7R,8S)-8-benzoxy-7-(6-chloropurin-9-yl)nonan-2-ol Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC(C(C)OCC1=CC=CC=C1)N2C=NC3=C2N=CN=C3Cl)O

Isomeric SMILES

C[C@@H]([C@@H](CCCCC(C)O)N1C=NC2=C1N=CN=C2Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27ClN4O2/c1-15(27)8-6-7-11-18(16(2)28-12-17-9-4-3-5-10-17)26-14-25-19-20(22)23-13-24-21(19)26/h3-5,9-10,13-16,18,27H,6-8,11-12H2,1-2H3/t15?,16-,18+/m0/s1