1-[2,6-bis(azanyl)-7-(2-phenoxyethanoyl)purin-8-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[2,6-bis(azanyl)-7-(2-phenoxyethanoyl)purin-8-yl]-2-phenoxy-ethanone Openeye Name: 1-[2,6-diamino-7-(2-phenoxyacetyl)purin-8-yl]-2-phenoxy-ethanone CAS Name: 1-[2,6-diamino-7-(1-oxo-2-phenoxyethyl)-8-purinyl]-2-phenoxyethanone IUPAC Name: 1-[2,6-diamino-7-(2-phenoxyacetyl)purin-8-yl]-2-phenoxyethanone Traditional Name: 1-[2,6-diamino-7-(2-phenoxyacetyl)purin-8-yl]-2-phenoxy-ethanone Formula: C21H18N6O4 MolecularWeight: 418.40542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)C2=NC3=C(N2C(=O)COC4=CC=CC=C4)C(=NC(=N3)N)N

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)C2=NC3=C(N2C(=O)COC4=CC=CC=C4)C(=NC(=N3)N)N

InChI

InChI=1S/C21H18N6O4/c22-18-17-19(26-21(23)24-18)25-20(15(28)11-30-13-7-3-1-4-8-13)27(17)16(29)12-31-14-9-5-2-6-10-14/h1-10H,11-12H2,(H4,22,23,24,26)