[4-[2-azanyl-6-(cyclobutylamino)purin-9-yl]-1,3-dioxolan-2-yl]methyl benzoate

Systemtic Name: [4-[2-azanyl-6-(cyclobutylamino)purin-9-yl]-1,3-dioxolan-2-yl]methyl benzoate Openeye Name: [4-[2-amino-6-(cyclobutylamino)purin-9-yl]-1,3-dioxolan-2-yl]methyl benzoate CAS Name: benzoic acid [4-[2-amino-6-(cyclobutylamino)-9-purinyl]-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [4-[2-amino-6-(cyclobutylamino)purin-9-yl]-1,3-dioxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [4-[2-amino-6-(cyclobutylamino)purin-9-yl]-1,3-dioxolan-2-yl]methyl ester Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=NC3=C2N=CN3C4COC(O4)COC(=O)C5=CC=CC=C5)N

Isomeric SMILES

C1CC(C1)NC2=NC(=NC3=C2N=CN3C4COC(O4)COC(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C20H22N6O4/c21-20-24-17(23-13-7-4-8-13)16-18(25-20)26(11-22-16)14-9-28-15(30-14)10-29-19(27)12-5-2-1-3-6-12/h1-3,5-6,11,13-15H,4,7-10H2,(H3,21,23,24,25)