6-[(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine

Systemtic Name: 6-[(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine Openeye Name: 6-[(2R)-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine CAS Name: 6-[(2R)-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxymethyl]-1-pyrrolidinyl]-7H-purine IUPAC Name: 6-[(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine Traditional Name: 6-[(2R)-2-[(2,2-dimethylcoumaran-7-yl)oxymethyl]pyrrolidino]-7H-purine Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC3CCCN3C4=NC=NC5=C4NC=N5)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC[C@H]3CCCN3C4=NC=NC5=C4NC=N5)C

InChI

InChI=1S/C20H23N5O2/c1-20(2)9-13-5-3-7-15(17(13)27-20)26-10-14-6-4-8-25(14)19-16-18(22-11-21-16)23-12-24-19/h3,5,7,11-12,14H,4,6,8-10H2,1-2H3,(H,21,22,23,24)/t14-/m1/s1