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

Systemtic Name: 3-azanyl-5-[6-[(2,5-diethylphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-amino-5-[6-[(2,5-diethylphenyl)methylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-5-[6-[(2,5-diethylphenyl)methylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-amino-5-[6-[(2,5-diethylphenyl)methylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 3-amino-5-[6-[(2,5-diethylbenzyl)amino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O

InChI

InChI=1S/C21H26N6O4/c1-3-11-5-6-12(4-2)13(7-11)8-23-18-15-19(25-9-24-18)27(10-26-15)20-16(28)14(22)17(31-20)21(29)30/h5-7,9-10,14,16-17,20,28H,3-4,8,22H2,1-2H3,(H,29,30)(H,23,24,25)