9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-(naphthalen-1-ylmethylamino)-3H-purin-6-one

Systemtic Name: 9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-(naphthalen-1-ylmethylamino)-3H-purin-6-one Openeye Name: 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-(1-naphthylmethylamino)-3H-purin-6-one CAS Name: 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-(1-naphthalenylmethylamino)-3H-purin-6-one IUPAC Name: 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(naphthalen-1-ylmethylamino)-3H-purin-6-one Traditional Name: 9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-2-(1-naphthylmethylamino)-3H-purin-6-one Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)NCC4=CC=CC5=CC=CC=C54)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)NCC4=CC=CC5=CC=CC=C54)CO)O

InChI

InChI=1S/C21H21N5O4/c27-10-16-15(28)8-17(30-16)26-11-23-18-19(26)24-21(25-20(18)29)22-9-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,11,15-17,27-28H,8-10H2,(H2,22,24,25,29)/t15-,16+,17+/m0/s1