[5-[6-(cyclopropylmethylamino)purin-9-yl]oxolan-2-yl]methyl heptanoate

Systemtic Name: [5-[6-(cyclopropylmethylamino)purin-9-yl]oxolan-2-yl]methyl heptanoate Openeye Name: [5-[6-(cyclopropylmethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl heptanoate CAS Name: heptanoic acid [5-[6-(cyclopropylmethylamino)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [5-[6-(cyclopropylmethylamino)purin-9-yl]oxolan-2-yl]methyl heptanoate Traditional Name: enanthic acid [5-[6-(cyclopropylmethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCC1CCC(O1)N2C=NC3=C2N=CN=C3NCC4CC4

Isomeric SMILES

CCCCCCC(=O)OCC1CCC(O1)N2C=NC3=C2N=CN=C3NCC4CC4

InChI

InChI=1S/C21H31N5O3/c1-2-3-4-5-6-18(27)28-12-16-9-10-17(29-16)26-14-25-19-20(22-11-15-7-8-15)23-13-24-21(19)26/h13-17H,2-12H2,1H3,(H,22,23,24)