propyl 2-(1-azanyl-6-oxidanylidene-2-propanoyl-purin-9-yl)-2-methoxy-3-phenylmethoxy-propanoate

Systemtic Name: propyl 2-(1-azanyl-6-oxidanylidene-2-propanoyl-purin-9-yl)-2-methoxy-3-phenylmethoxy-propanoate Openeye Name: propyl 2-(1-amino-6-oxo-2-propanoyl-purin-9-yl)-3-benzyloxy-2-methoxy-propanoate CAS Name: 2-[1-amino-6-oxo-2-(1-oxopropyl)-9-purinyl]-2-methoxy-3-phenylmethoxypropanoic acid propyl ester IUPAC Name: propyl 2-(1-amino-6-oxo-2-propanoylpurin-9-yl)-2-methoxy-3-phenylmethoxypropanoate Traditional Name: 2-(1-amino-6-keto-2-propionyl-purin-9-yl)-3-benzoxy-2-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)(N2C=NC3=C2N=C(N(C3=O)N)C(=O)CC)OC

Isomeric SMILES

CCCOC(=O)C(COCC1=CC=CC=C1)(N2C=NC3=C2N=C(N(C3=O)N)C(=O)CC)OC

InChI

InChI=1S/C22H27N5O6/c1-4-11-33-21(30)22(31-3,13-32-12-15-9-7-6-8-10-15)26-14-24-17-19(26)25-18(16(28)5-2)27(23)20(17)29/h6-10,14H,4-5,11-13,23H2,1-3H3