2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-8-sulfanyl-3,8-dihydropurin-6-one

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-8-sulfanyl-3,8-dihydropurin-6-one Openeye Name: 7-allyl-2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-sulfanyl-3,8-dihydropurin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-mercapto-7-prop-2-enyl-3,8-dihydropurin-6-one IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enyl-8-sulfanyl-3,8-dihydropurin-6-one Traditional Name: 7-allyl-2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-8-mercapto-3,8-dihydropurin-6-one Formula: C13H19N5O5S MolecularWeight: 357.38546

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(N(C2=C1C(=O)N=C(N2)N)C3C(C(C(O3)CO)O)O)S

Isomeric SMILES

C=CCN1C(N(C2=C1C(=O)N=C(N2)N)C3C(C(C(O3)CO)O)O)S

InChI

InChI=1S/C13H19N5O5S/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/h2,5,7-8,11,13,19-21,24H,1,3-4H2,(H3,14,15,16,22)