2-[6-[(2,5-diethylphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 2-[6-[(2,5-diethylphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 2-[6-[(2,5-diethylphenyl)methylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 2-[6-[(2,5-diethylphenyl)methylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 2-[6-[(2,5-diethylphenyl)methylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 2-[6-[(2,5-diethylbenzyl)amino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)CNC2=NC=NC3=C2N=CN3C4(CC(CO4)O)C(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)CNC2=NC=NC3=C2N=CN3C4(CC(CO4)O)C(=O)O

InChI

InChI=1S/C21H25N5O4/c1-3-13-5-6-14(4-2)15(7-13)9-22-18-17-19(24-11-23-18)26(12-25-17)21(20(28)29)8-16(27)10-30-21/h5-7,11-12,16,27H,3-4,8-10H2,1-2H3,(H,28,29)(H,22,23,24)