1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-sulfanylidene-5-(9H-xanthen-9-yl)pyrimidin-2-one

Systemtic Name: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-sulfanylidene-5-(9H-xanthen-9-yl)pyrimidin-2-one Openeye Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-thioxo-5-(9H-xanthen-9-yl)pyrimidin-2-one CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-sulfanylidene-5-(9H-xanthen-9-yl)-2-pyrimidinone IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidene-5-(9H-xanthen-9-yl)pyrimidin-2-one Traditional Name: 1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-4-thioxo-5-(9H-xanthen-9-yl)pyrimidin-2-one Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C4=CN(C(=O)NC4=S)C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C4=CN(C(=O)NC4=S)C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C22H20N2O6S/c25-10-16-18(26)19(27)21(30-16)24-9-13(20(31)23-22(24)28)17-11-5-1-3-7-14(11)29-15-8-4-2-6-12(15)17/h1-9,16-19,21,25-27H,10H2,(H,23,28,31)