methyl 2-[1-[8-[(3-chloranylphenoxy)methyl]-2-phenyl-7H-purin-6-yl]pyrrolidin-3-yl]ethanoate

Systemtic Name: methyl 2-[1-[8-[(3-chloranylphenoxy)methyl]-2-phenyl-7H-purin-6-yl]pyrrolidin-3-yl]ethanoate Openeye Name: methyl 2-[1-[8-[(3-chlorophenoxy)methyl]-2-phenyl-7H-purin-6-yl]pyrrolidin-3-yl]acetate CAS Name: 2-[1-[8-[(3-chlorophenoxy)methyl]-2-phenyl-7H-purin-6-yl]-3-pyrrolidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[8-[(3-chlorophenoxy)methyl]-2-phenyl-7H-purin-6-yl]pyrrolidin-3-yl]acetate Traditional Name: 2-[1-[8-[(3-chlorophenoxy)methyl]-2-phenyl-7H-purin-6-yl]pyrrolidin-3-yl]acetic acid methyl ester Formula: C25H24ClN5O3 MolecularWeight: 477.94276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCN(C1)C2=NC(=NC3=C2NC(=N3)COC4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

COC(=O)CC1CCN(C1)C2=NC(=NC3=C2NC(=N3)COC4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H24ClN5O3/c1-33-21(32)12-16-10-11-31(14-16)25-22-24(29-23(30-25)17-6-3-2-4-7-17)28-20(27-22)15-34-19-9-5-8-18(26)13-19/h2-9,13,16H,10-12,14-15H2,1H3,(H,27,28,29,30)