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

Systemtic Name: [2-[(2-acetamido-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-phenylmethoxy-propyl] propanoate Openeye Name: [2-[(2-acetamido-6-oxo-3H-purin-9-yl)methoxy]-3-benzyloxy-propyl] propanoate CAS Name: propanoic acid [2-[(2-acetamido-6-oxo-3H-purin-9-yl)methoxy]-3-phenylmethoxypropyl] ester IUPAC Name: [2-[(2-acetamido-6-oxo-3H-purin-9-yl)methoxy]-3-phenylmethoxypropyl] propanoate Traditional Name: propionic acid [2-[(2-acetamido-6-keto-3H-purin-9-yl)methoxy]-3-benzoxy-propyl] ester Formula: C21H25N5O6 MolecularWeight: 443.4531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O6/c1-3-17(28)31-11-16(10-30-9-15-7-5-4-6-8-15)32-13-26-12-22-18-19(26)24-21(23-14(2)27)25-20(18)29/h4-8,12,16H,3,9-11,13H2,1-2H3,(H2,23,24,25,27,29)