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

Systemtic Name: [2-[(2-acetamido-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-phenylmethoxy-propyl] ethanoate Openeye Name: [2-[(2-acetamido-6-oxo-3H-purin-9-yl)methoxy]-3-benzyloxy-propyl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [2-[(2-acetamido-6-keto-3H-purin-9-yl)methoxy]-3-benzoxy-propyl] ester Formula: C20H23N5O6 MolecularWeight: 429.42652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)COC(COCC3=CC=CC=C3)COC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)COC(COCC3=CC=CC=C3)COC(=O)C

InChI

InChI=1S/C20H23N5O6/c1-13(26)22-20-23-18-17(19(28)24-20)21-11-25(18)12-31-16(10-30-14(2)27)9-29-8-15-6-4-3-5-7-15/h3-7,11,16H,8-10,12H2,1-2H3,(H2,22,23,24,26,28)