2-[6-[[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-sulfanylidene-3H-purin-2-yl]amino]hexa-2,4-diynyl]guanidine

Systemtic Name: 2-[6-[[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-sulfanylidene-3H-purin-2-yl]amino]hexa-2,4-diynyl]guanidine Openeye Name: 2-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-thioxo-3H-purin-2-yl]amino]hexa-2,4-diynyl]guanidine CAS Name: 2-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-sulfanylidene-3H-purin-2-yl]amino]hexa-2,4-diynyl]guanidine IUPAC Name: 2-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-sulfanylidene-3H-purin-2-yl]amino]hexa-2,4-diynyl]guanidine Traditional Name: 2-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6-thioxo-3H-purin-2-yl]amino]hexa-2,4-diynyl]guanidine Formula: C17H20N8O4S MolecularWeight: 432.4569

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=S)NCC#CC#CCN=C(N)N

Isomeric SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=S)NCC#CC#CCN=C(N)N

InChI

InChI=1S/C17H20N8O4S/c18-16(19)20-5-3-1-2-4-6-21-17-23-13-10(14(30)24-17)22-8-25(13)15-12(28)11(27)9(7-26)29-15/h8-9,11-12,15,26-28H,5-7H2,(H4,18,19,20)(H2,21,23,24,30)/t9-,11-,12-,15-/m1/s1