(2R)-4-[(Z)-[(4S,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-oxidanylidene-oxolan-2-ylidene]methyl]sulfanyl-2-azanyl-butanoic acid

Systemtic Name: (2R)-4-[(Z)-[(4S,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-oxidanylidene-oxolan-2-ylidene]methyl]sulfanyl-2-azanyl-butanoic acid Openeye Name: (2R)-2-amino-4-[(Z)-[(4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-oxo-tetrahydrofuran-2-ylidene]methyl]sulfanyl-butanoic acid CAS Name: (2R)-2-amino-4-[[(Z)-[(4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-oxo-2-oxolanylidene]methyl]thio]butanoic acid IUPAC Name: (2R)-2-amino-4-[(Z)-[(4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-oxooxolan-2-ylidene]methyl]sulfanylbutanoic acid Traditional Name: (2R)-4-[[(Z)-[(4S,5R)-5-adenin-9-yl-4-hydroxy-3-keto-tetrahydrofuran-2-ylidene]methyl]thio]-2-amino-butyric acid Formula: C14H16N6O5S MolecularWeight: 380.37904

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(=O)C(=CSCCC(C(=O)O)N)O3)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H](C(=O)/C(=C/SCC[C@H](C(=O)O)N)/O3)O

InChI

InChI=1S/C14H16N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h3-6,10,13,22H,1-2,15H2,(H,23,24)(H2,16,17,18)/b7-3-/t6-,10-,13-/m1/s1