phenylmethoxycarbonyl 2-[2,6-bis(azanyl)purin-9-yl]ethanoate

Systemtic Name: phenylmethoxycarbonyl 2-[2,6-bis(azanyl)purin-9-yl]ethanoate Openeye Name: benzyloxycarbonyl 2-(2,6-diaminopurin-9-yl)acetate CAS Name: 2-(2,6-diamino-9-purinyl)acetic acid phenylmethoxycarbonyl ester IUPAC Name: phenylmethoxycarbonyl 2-(2,6-diaminopurin-9-yl)acetate Traditional Name: 2-(2,6-diaminopurin-9-yl)acetic acid carbobenzoxy ester Formula: C15H14N6O4 MolecularWeight: 342.30946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)OC(=O)CN2C=NC3=C2N=C(N=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)OC(=O)CN2C=NC3=C2N=C(N=C3N)N

InChI

InChI=1S/C15H14N6O4/c16-12-11-13(20-14(17)19-12)21(8-18-11)6-10(22)25-15(23)24-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H4,16,17,19,20)