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

Systemtic Name: 2-azanyl-8-[(E)-but-2-enyl]sulfanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-8-[(E)-but-2-enyl]sulfanyl-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-8-[[(E)-but-2-enyl]thio]-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-8-[(E)-but-2-enyl]sulfanyl-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-8-[[(E)-but-2-enyl]thio]-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C14H19N5O5S MolecularWeight: 369.39616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/CSC1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N

InChI

InChI=1S/C14H19N5O5S/c1-2-3-4-25-14-16-7-10(17-13(15)18-11(7)23)19(14)12-9(22)8(21)6(5-20)24-12/h2-3,6,8-9,12,20-22H,4-5H2,1H3,(H3,15,17,18,23)/b3-2+