[5-(5-ethyl-1,2-oxazol-3-yl)oxolan-3-yl] 2-(pentan-3-ylamino)-2-purin-9-yl-ethanoate

Systemtic Name: [5-(5-ethyl-1,2-oxazol-3-yl)oxolan-3-yl] 2-(pentan-3-ylamino)-2-purin-9-yl-ethanoate Openeye Name: [5-(5-ethylisoxazol-3-yl)tetrahydrofuran-3-yl] 2-(1-ethylpropylamino)-2-purin-9-yl-acetate CAS Name: 2-(pentan-3-ylamino)-2-(9-purinyl)acetic acid [5-(5-ethyl-3-isoxazolyl)-3-oxolanyl] ester IUPAC Name: [5-(5-ethyl-1,2-oxazol-3-yl)oxolan-3-yl] 2-(pentan-3-ylamino)-2-purin-9-ylacetate Traditional Name: 2-(1-ethylpropylamino)-2-purin-9-yl-acetic acid [5-(5-ethylisoxazol-3-yl)tetrahydrofuran-3-yl] ester Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NO1)C2CC(CO2)OC(=O)C(NC(CC)CC)N3C=NC4=CN=CN=C43

Isomeric SMILES

CCC1=CC(=NO1)C2CC(CO2)OC(=O)C(NC(CC)CC)N3C=NC4=CN=CN=C43

InChI

InChI=1S/C21H28N6O4/c1-4-13(5-2)25-20(27-12-24-17-9-22-11-23-19(17)27)21(28)30-15-8-18(29-10-15)16-7-14(6-3)31-26-16/h7,9,11-13,15,18,20,25H,4-6,8,10H2,1-3H3