[5-(6-azanyl-2-oct-1-ynyl-purin-9-yl)-3,4-di(propanoyloxy)oxolan-2-yl]methyl propanoate

Systemtic Name: [5-(6-azanyl-2-oct-1-ynyl-purin-9-yl)-3,4-di(propanoyloxy)oxolan-2-yl]methyl propanoate Openeye Name: [5-(6-amino-2-oct-1-ynyl-purin-9-yl)-3,4-di(propanoyloxy)tetrahydrofuran-2-yl]methyl propanoate CAS Name: propanoic acid [5-(6-amino-2-oct-1-ynyl-9-purinyl)-3,4-bis(1-oxopropoxy)-2-oxolanyl]methyl ester IUPAC Name: [5-(6-amino-2-oct-1-ynylpurin-9-yl)-3,4-di(propanoyloxy)oxolan-2-yl]methyl propanoate Traditional Name: propionic acid [5-(6-amino-2-oct-1-ynyl-purin-9-yl)-3,4-dipropionyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C27H37N5O7 MolecularWeight: 543.61198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COC(=O)CC)OC(=O)CC)OC(=O)CC

Isomeric SMILES

CCCCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COC(=O)CC)OC(=O)CC)OC(=O)CC

InChI

InChI=1S/C27H37N5O7/c1-5-9-10-11-12-13-14-18-30-25(28)22-26(31-18)32(16-29-22)27-24(39-21(35)8-4)23(38-20(34)7-3)17(37-27)15-36-19(33)6-2/h16-17,23-24,27H,5-12,15H2,1-4H3,(H2,28,30,31)