4-azanyl-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one

Systemtic Name: 4-azanyl-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one Openeye Name: 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; 2-morpholino-6-thianthren-1-yl-pyran-4-one CAS Name: 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-pyrimidinone; 2-(4-morpholinyl)-6-(1-thianthrenyl)-4-pyranone IUPAC Name: 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; 2-morpholin-4-yl-6-thianthren-1-ylpyran-4-one Traditional Name: 4-amino-1-[(2R,5S)-2-methylol-1,3-oxathiolan-5-yl]pyrimidin-2-one; 2-morpholino-6-thianthren-1-yl-pyran-4-one Formula: C29H28N4O6S3 MolecularWeight: 624.75082

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4.C1C(OC(S1)CO)N2C=CC(=NC2=O)N

Isomeric SMILES

C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4.C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N

InChI

InChI=1S/C21H17NO3S2.C8H11N3O3S/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19;9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-7,12-13H,8-11H2;1-2,6-7,12H,3-4H2,(H2,9,10,13)/t;6-,7+/m.0/s1