methyl 3-[5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]pyrimidin-2-yl]benzoate

Systemtic Name: methyl 3-[5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]pyrimidin-2-yl]benzoate Openeye Name: methyl 3-[5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]pyrimidin-2-yl]benzoate CAS Name: 3-[5-[[(2R)-1-(7H-purin-6-yl)-2-pyrrolidinyl]methoxy]-2-pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]pyrimidin-2-yl]benzoate Traditional Name: 3-[5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]pyrimidin-2-yl]benzoic acid methyl ester Formula: C22H21N7O3 MolecularWeight: 431.44724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=NC=C(C=N2)OCC3CCCN3C4=NC=NC5=C4NC=N5

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=NC=C(C=N2)OC[C@H]3CCCN3C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H21N7O3/c1-31-22(30)15-5-2-4-14(8-15)19-23-9-17(10-24-19)32-11-16-6-3-7-29(16)21-18-20(26-12-25-18)27-13-28-21/h2,4-5,8-10,12-13,16H,3,6-7,11H2,1H3,(H,25,26,27,28)/t16-/m1/s1