6-[(2R)-2-[(2-chloranylphenoxy)methyl]pyrrolidin-1-yl]-8-ethyl-7H-purine

Systemtic Name: 6-[(2R)-2-[(2-chloranylphenoxy)methyl]pyrrolidin-1-yl]-8-ethyl-7H-purine Openeye Name: 6-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-ethyl-7H-purine CAS Name: 6-[(2R)-2-[(2-chlorophenoxy)methyl]-1-pyrrolidinyl]-8-ethyl-7H-purine IUPAC Name: 6-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-ethyl-7H-purine Traditional Name: 6-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidino]-8-ethyl-7H-purine Formula: C18H20ClN5O MolecularWeight: 357.8373

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=NC=N2)N3CCCC3COC4=CC=CC=C4Cl

Isomeric SMILES

CCC1=NC2=C(N1)C(=NC=N2)N3CCC[C@@H]3COC4=CC=CC=C4Cl

InChI

InChI=1S/C18H20ClN5O/c1-2-15-22-16-17(23-15)20-11-21-18(16)24-9-5-6-12(24)10-25-14-8-4-3-7-13(14)19/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,20,21,22,23)/t12-/m1/s1