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

Systemtic Name: 2-[3-[[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-sulfanylidene-3H-purin-2-yl]amino]propyl]guanidine Openeye Name: 2-[3-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-thioxo-3H-purin-2-yl]amino]propyl]guanidine CAS Name: 2-[3-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-sulfanylidene-3H-purin-2-yl]amino]propyl]guanidine IUPAC Name: 2-[3-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-sulfanylidene-3H-purin-2-yl]amino]propyl]guanidine Traditional Name: 2-[3-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6-thioxo-3H-purin-2-yl]amino]propyl]guanidine Formula: C14H22N8O4S MolecularWeight: 398.44068

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=S)NCCCN=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)NCCCN=C(N)N

InChI

InChI=1S/C14H22N8O4S/c15-13(16)17-2-1-3-18-14-20-10-7(11(27)21-14)19-5-22(10)12-9(25)8(24)6(4-23)26-12/h5-6,8-9,12,23-25H,1-4H2,(H4,15,16,17)(H2,18,20,21,27)/t6-,8-,9-,12-/m1/s1