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

Systemtic Name: 2-[[6-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]methoxy]ethanoic acid Openeye Name: 2-[[6-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]methoxy]acetic acid CAS Name: 2-[[6-[(2S)-2-carbamoyl-1-pyrrolidinyl]-2-phenyl-7H-purin-8-yl]methoxy]acetic acid IUPAC Name: 2-[[6-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]methoxy]acetic acid Traditional Name: 2-[[6-[(2S)-2-carbamoylpyrrolidino]-2-phenyl-7H-purin-8-yl]methoxy]acetic acid Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC(=NC3=C2NC(=N3)COCC(=O)O)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C2=NC(=NC3=C2NC(=N3)COCC(=O)O)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C19H20N6O4/c20-16(28)12-7-4-8-25(12)19-15-18(22-13(21-15)9-29-10-14(26)27)23-17(24-19)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,20,28)(H,26,27)(H,21,22,23,24)/t12-/m0/s1