[2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] pentanoate

Systemtic Name: [2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] pentanoate Openeye Name: [2-(2-amino-6-methoxy-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] pentanoate CAS Name: pentanoic acid [2-(2-amino-6-methoxy-9-purinyl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [2-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] pentanoate Traditional Name: valeric acid [2-(2-amino-6-methoxy-purin-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] ester Formula: C16H23N5O6 MolecularWeight: 381.38372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1C(C(OC1N2C=NC3=C2N=C(N=C3OC)N)CO)O

Isomeric SMILES

CCCCC(=O)OC1C(C(OC1N2C=NC3=C2N=C(N=C3OC)N)CO)O

InChI

InChI=1S/C16H23N5O6/c1-3-4-5-9(23)27-12-11(24)8(6-22)26-15(12)21-7-18-10-13(21)19-16(17)20-14(10)25-2/h7-8,11-12,15,22,24H,3-6H2,1-2H3,(H2,17,19,20)