3-[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]isochromene-1,4-dione

Systemtic Name: 3-[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]isochromene-1,4-dione Openeye Name: 3-[5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]isochromane-1,4-dione CAS Name: 3-[5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]-3,4-dihydro-1H-2-benzopyran-1,4-dione IUPAC Name: 3-[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]isochromene-1,4-dione Traditional Name: 3-(5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)isochroman-1,4-quinone Formula: C18H15N5O5 MolecularWeight: 381.3422

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)C4C(=O)C5=CC=CC=C5C(=O)O4)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)C4C(=O)C5=CC=CC=C5C(=O)O4)O

InChI

InChI=1S/C18H15N5O5/c19-16-12-17(21-6-20-16)23(7-22-12)11-5-10(24)14(27-11)15-13(25)8-3-1-2-4-9(8)18(26)28-15/h1-4,6-7,10-11,14-15,24H,5H2,(H2,19,20,21)