2-[2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]thio]-1-phenylethanone IUPAC Name: 2-[2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-yl]thio]-1-phenyl-ethanone Formula: C18H19N5O5S MolecularWeight: 417.43896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N

InChI

InChI=1S/C18H19N5O5S/c19-18-21-15-12(16(22-18)29-7-10(25)9-4-2-1-3-5-9)20-8-23(15)17-14(27)13(26)11(6-24)28-17/h1-5,8,11,13-14,17,24,26-27H,6-7H2,(H2,19,21,22)