2-azanyl-9-[(3R,4S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-8-sulfanylidene-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(3R,4S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-8-sulfanylidene-3H-purin-6-one Openeye Name: 7-allyl-2-amino-9-[(3R,4S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-thioxo-3H-purin-6-one CAS Name: 2-amino-9-[(3R,4S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-7-prop-2-enyl-8-sulfanylidene-3H-purin-6-one IUPAC Name: 2-amino-9-[(3R,4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enyl-8-sulfanylidene-3H-purin-6-one Traditional Name: 7-allyl-2-amino-9-[(3R,4S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-8-thioxo-3H-purin-6-one Formula: C13H17N5O5S MolecularWeight: 355.36958

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(NC(=NC2=O)N)N(C1=S)C3C(C(C(O3)CO)O)O

Isomeric SMILES

C=CCN1C2=C(NC(=NC2=O)N)N(C1=S)C3[C@@H]([C@@H](C(O3)CO)O)O

InChI

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