[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl (2S)-2-selenonitroso-4-sulfanyl-butanoate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl (2S)-2-selenonitroso-4-sulfanyl-butanoate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (2S)-2-selenonitroso-4-sulfanyl-butanoate CAS Name: (2S)-4-mercapto-2-selenonitrosobutanoic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-selenonitroso-4-sulfanylbutanoate Traditional Name: (2S)-4-mercapto-2-selenonitroso-butyric acid [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C14H18N6O5SSe MolecularWeight: 461.35492

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COC(=O)C(CCS)N=[Se])O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)[C@H](CCS)N=[Se])O)O

InChI

InChI=1S/C14H18N6O5SSe/c15-11-8-12(17-4-16-11)20(5-18-8)13-10(22)9(21)7(25-13)3-24-14(23)6(19-27)1-2-26/h4-7,9-10,13,21-22,26H,1-3H2,(H2,15,16,17)/t6-,7+,9+,10+,13+/m0/s1