3-phenylmethoxypropyl 2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methoxy-ethanoate

Systemtic Name: 3-phenylmethoxypropyl 2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methoxy-ethanoate Openeye Name: 3-benzyloxypropyl 2-(2-amino-6-oxo-3H-purin-9-yl)-2-methoxy-acetate CAS Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-2-methoxyacetic acid 3-phenylmethoxypropyl ester IUPAC Name: 3-phenylmethoxypropyl 2-(2-amino-6-oxo-3H-purin-9-yl)-2-methoxyacetate Traditional Name: 2-(2-amino-6-keto-3H-purin-9-yl)-2-methoxy-acetic acid 3-benzoxypropyl ester Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(=O)OCCCOCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

COC(C(=O)OCCCOCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C18H21N5O5/c1-26-16(23-11-20-13-14(23)21-18(19)22-15(13)24)17(25)28-9-5-8-27-10-12-6-3-2-4-7-12/h2-4,6-7,11,16H,5,8-10H2,1H3,(H3,19,21,22,24)