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

Systemtic Name: 3-azanyl-4-oxidanyl-5-[6-[(2-phenylcyclopropyl)amino]purin-9-yl]oxolane-2-carboxylic acid Openeye Name: 3-amino-4-hydroxy-5-[6-[(2-phenylcyclopropyl)amino]purin-9-yl]tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-4-hydroxy-5-[6-[(2-phenylcyclopropyl)amino]-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 3-amino-4-hydroxy-5-[6-[(2-phenylcyclopropyl)amino]purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 3-amino-4-hydroxy-5-[6-[(2-phenylcyclopropyl)amino]purin-9-yl]tetrahydrofuran-2-carboxylic acid Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O)C5=CC=CC=C5

Isomeric SMILES

C1C(C1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O)C5=CC=CC=C5

InChI

InChI=1S/C19H20N6O4/c20-12-14(26)18(29-15(12)19(27)28)25-8-23-13-16(21-7-22-17(13)25)24-11-6-10(11)9-4-2-1-3-5-9/h1-5,7-8,10-12,14-15,18,26H,6,20H2,(H,27,28)(H,21,22,24)