propyl 2-[[6-oxidanylidene-2-(propanoylamino)-3H-purin-9-yl]methoxy]-3-phenylmethoxy-propanoate

Systemtic Name: propyl 2-[[6-oxidanylidene-2-(propanoylamino)-3H-purin-9-yl]methoxy]-3-phenylmethoxy-propanoate Openeye Name: propyl 3-benzyloxy-2-[[6-oxo-2-(propanoylamino)-3H-purin-9-yl]methoxy]propanoate CAS Name: 2-[[6-oxo-2-(1-oxopropylamino)-3H-purin-9-yl]methoxy]-3-phenylmethoxypropanoic acid propyl ester IUPAC Name: propyl 2-[[6-oxo-2-(propanoylamino)-3H-purin-9-yl]methoxy]-3-phenylmethoxypropanoate Traditional Name: 3-benzoxy-2-[(6-keto-2-propionamido-3H-purin-9-yl)methoxy]propionic acid propyl ester Formula: C22H27N5O6 MolecularWeight: 457.47968

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)NC(=O)CC

Isomeric SMILES

CCCOC(=O)C(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)NC(=O)CC

InChI

InChI=1S/C22H27N5O6/c1-3-10-32-21(30)16(12-31-11-15-8-6-5-7-9-15)33-14-27-13-23-18-19(27)25-22(26-20(18)29)24-17(28)4-2/h5-9,13,16H,3-4,10-12,14H2,1-2H3,(H2,24,25,26,28,29)