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

Systemtic Name: [4-[2-azanyl-6-(cyclopentylamino)purin-9-yl]-1,3-dioxolan-2-yl]methyl benzoate Openeye Name: [4-[2-amino-6-(cyclopentylamino)purin-9-yl]-1,3-dioxolan-2-yl]methyl benzoate CAS Name: benzoic acid [4-[2-amino-6-(cyclopentylamino)-9-purinyl]-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [4-[2-amino-6-(cyclopentylamino)purin-9-yl]-1,3-dioxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [4-[2-amino-6-(cyclopentylamino)purin-9-yl]-1,3-dioxolan-2-yl]methyl ester Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=NC3=C2N=CN3C4COC(O4)COC(=O)C5=CC=CC=C5)N

Isomeric SMILES

C1CCC(C1)NC2=NC(=NC3=C2N=CN3C4COC(O4)COC(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C21H24N6O4/c22-21-25-18(24-14-8-4-5-9-14)17-19(26-21)27(12-23-17)15-10-29-16(31-15)11-30-20(28)13-6-2-1-3-7-13/h1-3,6-7,12,14-16H,4-5,8-11H2,(H3,22,24,25,26)