3-azanyl-5-[6-[(5-methoxy-2-pentan-3-yloxy-phenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 3-azanyl-5-[6-[(5-methoxy-2-pentan-3-yloxy-phenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-amino-5-[6-[[2-(1-ethylpropoxy)-5-methoxy-phenyl]methylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-4-hydroxy-5-[6-[(5-methoxy-2-pentan-3-yloxyphenyl)methylamino]-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 3-amino-4-hydroxy-5-[6-[(5-methoxy-2-pentan-3-yloxyphenyl)methylamino]purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 3-amino-5-[6-[[2-(1-ethylpropoxy)-5-methoxy-benzyl]amino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C23H30N6O6 MolecularWeight: 486.5209

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=C(C=C(C=C1)OC)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O

Isomeric SMILES

CCC(CC)OC1=C(C=C(C=C1)OC)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O

InChI

InChI=1S/C23H30N6O6/c1-4-13(5-2)34-15-7-6-14(33-3)8-12(15)9-25-20-17-21(27-10-26-20)29(11-28-17)22-18(30)16(24)19(35-22)23(31)32/h6-8,10-11,13,16,18-19,22,30H,4-5,9,24H2,1-3H3,(H,31,32)(H,25,26,27)