2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl (2S)-2-azanyl-3-phenyl-propanoate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl (2S)-2-azanyl-3-phenyl-propanoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-phenyl-propanoate CAS Name: (2S)-2-amino-3-phenylpropanoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-phenylpropanoate Traditional Name: (2S)-2-amino-3-phenyl-propionic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N)N

InChI

InChI=1S/C17H20N6O4/c18-12(8-11-4-2-1-3-5-11)16(25)27-7-6-26-10-23-9-20-13-14(23)21-17(19)22-15(13)24/h1-5,9,12H,6-8,10,18H2,(H3,19,21,22,24)/t12-/m0/s1