3-azanyl-5-[6-[(3-butoxyphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 3-azanyl-5-[6-[(3-butoxyphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-amino-5-[6-[(3-butoxyphenyl)methylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-5-[6-[(3-butoxyphenyl)methylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-amino-5-[6-[(3-butoxyphenyl)methylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 3-amino-5-[6-[(3-butoxybenzyl)amino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C21H26N6O5 MolecularWeight: 442.46834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O

InChI

InChI=1S/C21H26N6O5/c1-2-3-7-31-13-6-4-5-12(8-13)9-23-18-15-19(25-10-24-18)27(11-26-15)20-16(28)14(22)17(32-20)21(29)30/h4-6,8,10-11,14,16-17,20,28H,2-3,7,9,22H2,1H3,(H,29,30)(H,23,24,25)