5-(5-ethyl-1,2-oxazol-3-yl)-2-(pentan-3-ylamino)-2-purin-9-yl-oxolane-3,4-diol methanoate

Systemtic Name: 5-(5-ethyl-1,2-oxazol-3-yl)-2-(pentan-3-ylamino)-2-purin-9-yl-oxolane-3,4-diol methanoate Openeye Name: 5-(5-ethylisoxazol-3-yl)-2-(1-ethylpropylamino)-2-purin-9-yl-tetrahydrofuran-3,4-diol formate CAS Name: 5-(5-ethyl-3-isoxazolyl)-2-(pentan-3-ylamino)-2-(9-purinyl)oxolane-3,4-diol formate IUPAC Name: 5-(5-ethyl-1,2-oxazol-3-yl)-2-(pentan-3-ylamino)-2-purin-9-yloxolane-3,4-diol formate Traditional Name: 5-(5-ethylisoxazol-3-yl)-2-(1-ethylpropylamino)-2-purin-9-yl-tetrahydrofuran-3,4-diol formate Formula: C20H27N6O6- MolecularWeight: 447.46498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NO1)C2C(C(C(O2)(NC(CC)CC)N3C=NC4=CN=CN=C43)O)O.C(=O)[O-]

Isomeric SMILES

CCC1=CC(=NO1)C2C(C(C(O2)(NC(CC)CC)N3C=NC4=CN=CN=C43)O)O.C(=O)[O-]

InChI

InChI=1S/C19H26N6O4.CH2O2/c1-4-11(5-2)23-19(25-10-22-14-8-20-9-21-18(14)25)17(27)15(26)16(28-19)13-7-12(6-3)29-24-13;2-1-3/h7-11,15-17,23,26-27H,4-6H2,1-3H3;1H,(H,2,3)/p-1