3-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]isochromene-1,4-dione

Systemtic Name: 3-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]isochromene-1,4-dione Openeye Name: 3-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]isochromane-1,4-dione CAS Name: 3-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]-3,4-dihydro-1H-2-benzopyran-1,4-dione IUPAC Name: 3-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]isochromene-1,4-dione Traditional Name: 3-[5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]isochroman-1,4-quinone Formula: C18H15N5O6 MolecularWeight: 397.3416

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)C4C(=O)C5=CC=CC=C5C(=O)O4)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)C4C(=O)C5=CC=CC=C5C(=O)O4)O

InChI

InChI=1S/C18H15N5O6/c19-18-21-15-11(16(26)22-18)20-6-23(15)10-5-9(24)13(28-10)14-12(25)7-3-1-2-4-8(7)17(27)29-14/h1-4,6,9-10,13-14,24H,5H2,(H3,19,21,22,26)