4-azanyl-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-pyren-1-yl-pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-pyren-1-yl-pyrimidin-2-one Openeye Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-pyren-1-yl-pyrimidin-2-one CAS Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-(1-pyrenyl)-2-pyrimidinone IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-pyren-1-ylpyrimidin-2-one Traditional Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-pyren-1-yl-pyrimidin-2-one Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=NC2=O)N)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)CO)O

InChI

InChI=1S/C25H21N3O4/c26-24-18(11-28(25(31)27-24)21-10-19(30)20(12-29)32-21)16-8-6-15-5-4-13-2-1-3-14-7-9-17(16)23(15)22(13)14/h1-9,11,19-21,29-30H,10,12H2,(H2,26,27,31)/t19-,20+,21+/m0/s1