[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-azanyl-3-phenyl-propanoate

Systemtic Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-azanyl-3-phenyl-propanoate Openeye Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] 2-amino-3-phenyl-propanoate CAS Name: 2-amino-3-phenylpropanoic acid [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-amino-3-phenylpropanoate Traditional Name: 2-amino-3-phenyl-propionic acid (5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl) ester Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)OC(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)OC(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C19H22N6O4/c20-12(6-11-4-2-1-3-5-11)19(27)29-13-7-15(28-14(13)8-26)25-10-24-16-17(21)22-9-23-18(16)25/h1-5,9-10,12-15,26H,6-8,20H2,(H2,21,22,23)