2-[[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]-(1-phenylethyl)amino]propanoic acid

Systemtic Name: 2-[[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]-(1-phenylethyl)amino]propanoic acid Openeye Name: 2-[[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-yl]-(1-phenylethyl)amino]propanoic acid CAS Name: 2-[[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-purinyl]-(1-phenylethyl)amino]propanoic acid IUPAC Name: 2-[[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-(1-phenylethyl)amino]propanoic acid Traditional Name: 2-[[6-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-2-yl]-(1-phenylethyl)amino]propionic acid Formula: C21H26N6O6 MolecularWeight: 458.46774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O)C(C)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)N(C2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O)C(C)C(=O)O

InChI

InChI=1S/C21H26N6O6/c1-10(12-6-4-3-5-7-12)27(11(2)20(31)32)21-24-17(22)14-18(25-21)26(9-23-14)19-16(30)15(29)13(8-28)33-19/h3-7,9-11,13,15-16,19,28-30H,8H2,1-2H3,(H,31,32)(H2,22,24,25)