[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl pent-4-enoate

Systemtic Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl pent-4-enoate Openeye Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl pent-4-enoate CAS Name: 4-pentenoic acid [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl pent-4-enoate Traditional Name: pent-4-enoic acid [(2R,3S,5R)-5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C15H19N5O4 MolecularWeight: 333.34246

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3N)O

Isomeric SMILES

C=CCCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3N)O

InChI

InChI=1S/C15H19N5O4/c1-2-3-4-12(22)23-6-10-9(21)5-11(24-10)20-8-19-13-14(16)17-7-18-15(13)20/h2,7-11,21H,1,3-6H2,(H2,16,17,18)/t9-,10+,11+/m0/s1