6-[(1R,2R)-2-phenylcyclopropyl]-9-(phenylmethyl)purine

Systemtic Name: 6-[(1R,2R)-2-phenylcyclopropyl]-9-(phenylmethyl)purine Openeye Name: 9-benzyl-6-[(1R,2R)-2-phenylcyclopropyl]purine CAS Name: 6-[(1R,2R)-2-phenylcyclopropyl]-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-6-[(1R,2R)-2-phenylcyclopropyl]purine Traditional Name: 9-benzyl-6-[(1R,2R)-2-phenylcyclopropyl]purine Formula: C21H18N4 MolecularWeight: 326.39442

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C2=C3C(=NC=N2)N(C=N3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1[C@H]([C@@H]1C2=C3C(=NC=N2)N(C=N3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H18N4/c1-3-7-15(8-4-1)12-25-14-24-20-19(22-13-23-21(20)25)18-11-17(18)16-9-5-2-6-10-16/h1-10,13-14,17-18H,11-12H2/t17-,18+/m0/s1