2-[6-[(3-butoxyphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 2-[6-[(3-butoxyphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 2-[6-[(3-butoxyphenyl)methylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 2-[6-[(3-butoxyphenyl)methylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 2-[6-[(3-butoxyphenyl)methylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 2-[6-[(3-butoxybenzyl)amino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C21H25N5O5 MolecularWeight: 427.4537

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)CNC2=NC=NC3=C2N=CN3C4(CC(CO4)O)C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)CNC2=NC=NC3=C2N=CN3C4(CC(CO4)O)C(=O)O

InChI

InChI=1S/C21H25N5O5/c1-2-3-7-30-16-6-4-5-14(8-16)10-22-18-17-19(24-12-23-18)26(13-25-17)21(20(28)29)9-15(27)11-31-21/h4-6,8,12-13,15,27H,2-3,7,9-11H2,1H3,(H,28,29)(H,22,23,24)