9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-8-phenacylsulfanyl-3H-purin-6-one

Systemtic Name: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-8-phenacylsulfanyl-3H-purin-6-one Openeye Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-phenacylsulfanyl-3H-purin-6-one CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-(phenacylthio)-3H-purin-6-one IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-phenacylsulfanyl-3H-purin-6-one Traditional Name: 9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-8-(phenacylthio)-3H-purin-6-one Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC=NC3=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC=NC3=O

InChI

InChI=1S/C18H18N4O6S/c23-6-11-13(25)14(26)17(28-11)22-15-12(16(27)20-8-19-15)21-18(22)29-7-10(24)9-4-2-1-3-5-9/h1-5,8,11,13-14,17,23,25-26H,6-7H2,(H,19,20,27)