3-[(3-methoxyphenyl)methylamino]-4-oxidanyl-2-pentan-3-yloxy-3-purin-9-yl-oxolane-2-carboxylic acid

Systemtic Name: 3-[(3-methoxyphenyl)methylamino]-4-oxidanyl-2-pentan-3-yloxy-3-purin-9-yl-oxolane-2-carboxylic acid Openeye Name: 2-(1-ethylpropoxy)-4-hydroxy-3-[(3-methoxyphenyl)methylamino]-3-purin-9-yl-tetrahydrofuran-2-carboxylic acid CAS Name: 4-hydroxy-3-[(3-methoxyphenyl)methylamino]-2-pentan-3-yloxy-3-(9-purinyl)-2-oxolanecarboxylic acid IUPAC Name: 4-hydroxy-3-[(3-methoxyphenyl)methylamino]-2-pentan-3-yloxy-3-purin-9-yloxolane-2-carboxylic acid Traditional Name: 2-(1-ethylpropoxy)-4-hydroxy-3-(m-anisylamino)-3-purin-9-yl-tetrahydrofuran-2-carboxylic acid Formula: C23H29N5O6 MolecularWeight: 471.50626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1(C(C(CO1)O)(NCC2=CC(=CC=C2)OC)N3C=NC4=CN=CN=C43)C(=O)O

Isomeric SMILES

CCC(CC)OC1(C(C(CO1)O)(NCC2=CC(=CC=C2)OC)N3C=NC4=CN=CN=C43)C(=O)O

InChI

InChI=1S/C23H29N5O6/c1-4-16(5-2)34-23(21(30)31)22(19(29)12-33-23,27-10-15-7-6-8-17(9-15)32-3)28-14-26-18-11-24-13-25-20(18)28/h6-9,11,13-14,16,19,27,29H,4-5,10,12H2,1-3H3,(H,30,31)