9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-[[(1R)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]amino]-3H-purin-6-one

Systemtic Name: 9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-[[(1R)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]amino]-3H-purin-6-one Openeye Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-[[(1R)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]amino]-3H-purin-6-one CAS Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-[[(1R)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]amino]-3H-purin-6-one IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[[(1R)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]amino]-3H-purin-6-one Traditional Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-2-[[(1R)-7-methylol-2,3-dihydro-1H-pyrrolizin-1-yl]amino]-3H-purin-6-one Formula: C18H22N6O6 MolecularWeight: 418.40388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C=CC(=C2C1NC3=NC(=O)C4=C(N3)N(C=N4)C5C(C(C(O5)CO)O)O)CO

Isomeric SMILES

C1CN2C=CC(=C2[C@@H]1NC3=NC(=O)C4=C(N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)CO

InChI

InChI=1S/C18H22N6O6/c25-5-8-1-3-23-4-2-9(12(8)23)20-18-21-15-11(16(29)22-18)19-7-24(15)17-14(28)13(27)10(6-26)30-17/h1,3,7,9-10,13-14,17,25-28H,2,4-6H2,(H2,20,21,22,29)/t9-,10-,13-,14-,17-/m1/s1