[5-[6-(cyclopropylmethylamino)purin-9-yl]oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [5-[6-(cyclopropylmethylamino)purin-9-yl]oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [5-[6-(cyclopropylmethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-[6-(cyclopropylmethylamino)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [5-[6-(cyclopropylmethylamino)purin-9-yl]oxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-[6-(cyclopropylmethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2CCC(O2)N3C=NC4=C3N=CN=C4NCC5CC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2CCC(O2)N3C=NC4=C3N=CN=C4NCC5CC5

InChI

InChI=1S/C22H25N5O3/c1-14-2-6-16(7-3-14)22(28)29-11-17-8-9-18(30-17)27-13-26-19-20(23-10-15-4-5-15)24-12-25-21(19)27/h2-3,6-7,12-13,15,17-18H,4-5,8-11H2,1H3,(H,23,24,25)