5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(pyridin-2-ylmethylsulfanyl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(pyridin-2-ylmethylsulfanyl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 5-(6-aminopurin-9-yl)-3-[[2-amino-3-(2-pyridylmethylsulfanyl)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[2-amino-1-oxo-3-(2-pyridinylmethylthio)propyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 5-(6-aminopurin-9-yl)-3-[[2-amino-3-(pyridin-2-ylmethylsulfanyl)propanoyl]amino]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[2-amino-3-(2-pyridylmethylthio)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C19H22N8O5S MolecularWeight: 474.49358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSCC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

Isomeric SMILES

C1=CC=NC(=C1)CSCC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

InChI

InChI=1S/C19H22N8O5S/c20-10(6-33-5-9-3-1-2-4-22-9)17(29)26-11-13(28)18(32-14(11)19(30)31)27-8-25-12-15(21)23-7-24-16(12)27/h1-4,7-8,10-11,13-14,18,28H,5-6,20H2,(H,26,29)(H,30,31)(H2,21,23,24)