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

Systemtic Name: 3-azido-5-[6-[(3-methoxyphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-azido-4-hydroxy-5-[6-[(3-methoxyphenyl)methylamino]purin-9-yl]tetrahydrofuran-2-carboxylic acid CAS Name: 3-azido-4-hydroxy-5-[6-[(3-methoxyphenyl)methylamino]-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 3-azido-4-hydroxy-5-[6-[(3-methoxyphenyl)methylamino]purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 3-azido-4-hydroxy-5-[6-(m-anisylamino)purin-9-yl]tetrahydrofuran-2-carboxylic acid Formula: C18H18N8O5 MolecularWeight: 426.38612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N=[N+]=[N-])O

Isomeric SMILES

COC1=CC=CC(=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N=[N+]=[N-])O

InChI

InChI=1S/C18H18N8O5/c1-30-10-4-2-3-9(5-10)6-20-15-12-16(22-7-21-15)26(8-23-12)17-13(27)11(24-25-19)14(31-17)18(28)29/h2-5,7-8,11,13-14,17,27H,6H2,1H3,(H,28,29)(H,20,21,22)