6-[(2R,5R)-2-but-3-enyl-5-[(2-chloranylphenoxy)methyl]pyrrolidin-1-yl]-7H-purine

Systemtic Name: 6-[(2R,5R)-2-but-3-enyl-5-[(2-chloranylphenoxy)methyl]pyrrolidin-1-yl]-7H-purine Openeye Name: 6-[(2R,5R)-2-but-3-enyl-5-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-7H-purine CAS Name: 6-[(2R,5R)-2-but-3-enyl-5-[(2-chlorophenoxy)methyl]-1-pyrrolidinyl]-7H-purine IUPAC Name: 6-[(2R,5R)-2-but-3-enyl-5-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-7H-purine Traditional Name: 6-[(2R,5R)-2-but-3-enyl-5-[(2-chlorophenoxy)methyl]pyrrolidino]-7H-purine Formula: C20H22ClN5O MolecularWeight: 383.87458

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1CCC(N1C2=NC=NC3=C2NC=N3)COC4=CC=CC=C4Cl

Isomeric SMILES

C=CCC[C@@H]1CC[C@@H](N1C2=NC=NC3=C2NC=N3)COC4=CC=CC=C4Cl

InChI

InChI=1S/C20H22ClN5O/c1-2-3-6-14-9-10-15(11-27-17-8-5-4-7-16(17)21)26(14)20-18-19(23-12-22-18)24-13-25-20/h2,4-5,7-8,12-15H,1,3,6,9-11H2,(H,22,23,24,25)/t14-,15-/m1/s1