methyl 2-[[6-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]methoxy]ethanoate

Systemtic Name: methyl 2-[[6-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]methoxy]ethanoate Openeye Name: methyl 2-[[6-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]methoxy]acetate CAS Name: 2-[[6-[(2S)-2-carbamoyl-1-pyrrolidinyl]-2-phenyl-7H-purin-8-yl]methoxy]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]methoxy]acetate Traditional Name: 2-[[6-[(2S)-2-carbamoylpyrrolidino]-2-phenyl-7H-purin-8-yl]methoxy]acetic acid methyl ester Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COCC1=NC2=C(N1)C(=NC(=N2)C3=CC=CC=C3)N4CCCC4C(=O)N

Isomeric SMILES

COC(=O)COCC1=NC2=C(N1)C(=NC(=N2)C3=CC=CC=C3)N4CCC[C@H]4C(=O)N

InChI

InChI=1S/C20H22N6O4/c1-29-15(27)11-30-10-14-22-16-19(23-14)24-18(12-6-3-2-4-7-12)25-20(16)26-9-5-8-13(26)17(21)28/h2-4,6-7,13H,5,8-11H2,1H3,(H2,21,28)(H,22,23,24,25)/t13-/m0/s1