9-[5,5-bis(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-(phenylcarbonyl)-3H-purin-6-one

Systemtic Name: 9-[5,5-bis(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-(phenylcarbonyl)-3H-purin-6-one Openeye Name: 8-benzoyl-9-[4-hydroxy-5,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 8-benzoyl-9-[4-hydroxy-5,5-bis(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 8-benzoyl-9-[4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 8-benzoyl-9-(4-hydroxy-5,5-dimethylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C3=C(C(=O)N=CN3)N=C2C(=O)C4=CC=CC=C4)(CO)CO)O

Isomeric SMILES

C1C(C(OC1N2C3=C(C(=O)N=CN3)N=C2C(=O)C4=CC=CC=C4)(CO)CO)O

InChI

InChI=1S/C18H18N4O6/c23-7-18(8-24)11(25)6-12(28-18)22-15-13(17(27)20-9-19-15)21-16(22)14(26)10-4-2-1-3-5-10/h1-5,9,11-12,23-25H,6-8H2,(H,19,20,27)