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

Systemtic Name: 2-azanyl-9-[(3R,4S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-8-prop-2-enylsulfanyl-3H-purin-6-one Openeye Name: 8-allylsulfanyl-2-amino-9-[(3R,4S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(3R,4S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-(prop-2-enylthio)-3H-purin-6-one IUPAC Name: 2-amino-9-[(3R,4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-prop-2-enylsulfanyl-3H-purin-6-one Traditional Name: 8-(allylthio)-2-amino-9-[(3R,4S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C13H17N5O5S MolecularWeight: 355.36958

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N

Isomeric SMILES

C=CCSC1=NC2=C(N1C3[C@@H]([C@@H](C(O3)CO)O)O)NC(=NC2=O)N

InChI

InChI=1S/C13H17N5O5S/c1-2-3-24-13-15-6-9(16-12(14)17-10(6)22)18(13)11-8(21)7(20)5(4-19)23-11/h2,5,7-8,11,19-21H,1,3-4H2,(H3,14,16,17,22)/t5?,7-,8-,11?/m1/s1