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

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-8-phenacylsulfanyl-3H-purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-phenacylsulfanyl-3H-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-(phenacylthio)-3H-purin-6-one IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-phenacylsulfanyl-3H-purin-6-one Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-8-(phenacylthio)-3H-purin-6-one Formula: C18H19N5O6S MolecularWeight: 433.43836

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O6S/c19-17-21-14-11(15(28)22-17)20-18(30-7-9(25)8-4-2-1-3-5-8)23(14)16-13(27)12(26)10(6-24)29-16/h1-5,10,12-13,16,24,26-27H,6-7H2,(H3,19,21,22,28)