2-[2-[[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]phthalazin-1-one

Systemtic Name: 2-[2-[[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]phthalazin-1-one Openeye Name: 2-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]ethyl]phthalazin-1-one CAS Name: 2-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]ethyl]-1-phthalazinone IUPAC Name: 2-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethyl]phthalazin-1-one Traditional Name: 2-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]amino]ethyl]phthalazin-1-one Formula: C20H21N7O5 MolecularWeight: 439.42464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CCNC3=NC=NC4=C3N=CN4[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O

InChI

InChI=1S/C20H21N7O5/c28-8-13-15(29)16(30)20(32-13)26-10-24-14-17(22-9-23-18(14)26)21-5-6-27-19(31)12-4-2-1-3-11(12)7-25-27/h1-4,7,9-10,13,15-16,20,28-30H,5-6,8H2,(H,21,22,23)/t13-,15-,16-,20-/m1/s1