(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2E)-2-(5-azanyl-2,3-dihydro-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2E)-2-(5-azanyl-2,3-dihydro-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: (2S,3S,4R,5R)-3-[[(2E)-2-(5-amino-2,3-dihydro-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-acetyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: (2S,3S,4R,5R)-3-[[(2E)-2-(5-amino-2,3-dihydro-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-1-oxoethyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: (2S,3S,4R,5R)-3-[[(2E)-2-(5-amino-2,3-dihydro-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: (2S,3S,4R,5R)-5-adenin-9-yl-3-[[(2E)-2-(5-amino-2,3-dihydro-1,2,4-thiadiazol-3-yl)-2-ethyloximino-acetyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C16H20N10O6S MolecularWeight: 480.4584

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1NSC(=N1)N)C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O

Isomeric SMILES

CCO/N=C(\C1NSC(=N1)N)/C(=O)N[C@H]2[C@H]([C@@H](O[C@@H]2C(=O)O)N3C=NC4=C3N=CN=C4N)O

InChI

InChI=1S/C16H20N10O6S/c1-2-31-24-7(11-23-16(18)33-25-11)13(28)22-5-8(27)14(32-9(5)15(29)30)26-4-21-6-10(17)19-3-20-12(6)26/h3-5,8-9,11,14,25,27H,2H2,1H3,(H2,18,23)(H,22,28)(H,29,30)(H2,17,19,20)/b24-7+/t5-,8+,9-,11?,14+/m0/s1