[5-(6-aminopurin-9-yl)-4-butanoyl-3-butanoyloxy-4-oxidanyl-oxolan-2-yl]methyl butanoate

Systemtic Name: [5-(6-aminopurin-9-yl)-4-butanoyl-3-butanoyloxy-4-oxidanyl-oxolan-2-yl]methyl butanoate Openeye Name: [5-(6-aminopurin-9-yl)-4-butanoyl-3-butanoyloxy-4-hydroxy-tetrahydrofuran-2-yl]methyl butanoate CAS Name: butanoic acid [5-(6-aminopurin-9-yl)-4-hydroxy-3-(1-oxobutoxy)-4-(1-oxobutyl)-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-4-butanoyl-3-butanoyloxy-4-hydroxyoxolan-2-yl]methyl butanoate Traditional Name: butyric acid (5-adenin-9-yl-4-butyryl-3-butyryloxy-4-hydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C22H31N5O7 MolecularWeight: 477.51084

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(C(C(OC1N2C=NC3=C2N=CN=C3N)COC(=O)CCC)OC(=O)CCC)O

Isomeric SMILES

CCCC(=O)C1(C(C(OC1N2C=NC3=C2N=CN=C3N)COC(=O)CCC)OC(=O)CCC)O

InChI

InChI=1S/C22H31N5O7/c1-4-7-14(28)22(31)18(34-16(30)9-6-3)13(10-32-15(29)8-5-2)33-21(22)27-12-26-17-19(23)24-11-25-20(17)27/h11-13,18,21,31H,4-10H2,1-3H3,(H2,23,24,25)