(1S,2S)-2-[9-(phenylmethyl)purin-6-yl]cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[9-(phenylmethyl)purin-6-yl]cyclopropane-1-carboxylic acid Openeye Name: (1S,2S)-2-(9-benzylpurin-6-yl)cyclopropanecarboxylic acid CAS Name: (1S,2S)-2-[9-(phenylmethyl)-6-purinyl]-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S)-2-(9-benzylpurin-6-yl)cyclopropane-1-carboxylic acid Traditional Name: (1S,2S)-2-(9-benzylpurin-6-yl)cyclopropanecarboxylic acid Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)O)C2=C3C(=NC=N2)N(C=N3)CC4=CC=CC=C4

Isomeric SMILES

C1[C@@H]([C@H]1C(=O)O)C2=C3C(=NC=N2)N(C=N3)CC4=CC=CC=C4

InChI

InChI=1S/C16H14N4O2/c21-16(22)12-6-11(12)13-14-15(18-8-17-13)20(9-19-14)7-10-4-2-1-3-5-10/h1-5,8-9,11-12H,6-7H2,(H,21,22)/t11-,12-/m0/s1