[3-oxidanyl-2-(purin-7-ylmethoxy)propyl] cyclohexanecarboxylate

Systemtic Name: [3-oxidanyl-2-(purin-7-ylmethoxy)propyl] cyclohexanecarboxylate Openeye Name: [3-hydroxy-2-(purin-7-ylmethoxy)propyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [3-hydroxy-2-(7-purinylmethoxy)propyl] ester IUPAC Name: [3-hydroxy-2-(purin-7-ylmethoxy)propyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [3-hydroxy-2-(purin-7-ylmethoxy)propyl] ester Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OCC(CO)OCN2C=NC3=NC=NC=C32

Isomeric SMILES

C1CCC(CC1)C(=O)OCC(CO)OCN2C=NC3=NC=NC=C32

InChI

InChI=1S/C16H22N4O4/c21-7-13(8-23-16(22)12-4-2-1-3-5-12)24-11-20-10-19-15-14(20)6-17-9-18-15/h6,9-10,12-13,21H,1-5,7-8,11H2