2-azanyl-9-[5-(1,3-benzodioxol-5-ylmethoxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[5-(1,3-benzodioxol-5-ylmethoxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[5-(1,3-benzodioxol-5-ylmethoxymethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[5-(1,3-benzodioxol-5-ylmethoxymethyl)-3,4-dihydroxy-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[5-(1,3-benzodioxol-5-ylmethoxymethyl)-3,4-dihydroxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[3,4-dihydroxy-5-(piperonyloxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C18H19N5O7 MolecularWeight: 417.37276

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCC3C(C(C(O3)N4C=NC5=C4NC(=NC5=O)N)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COCC3C(C(C(O3)N4C=NC5=C4NC(=NC5=O)N)O)O

InChI

InChI=1S/C18H19N5O7/c19-18-21-15-12(16(26)22-18)20-6-23(15)17-14(25)13(24)11(30-17)5-27-4-8-1-2-9-10(3-8)29-7-28-9/h1-3,6,11,13-14,17,24-25H,4-5,7H2,(H3,19,21,22,26)