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

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(oxan-2-ylsulfanyl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 5-(6-aminopurin-9-yl)-3-[(2-amino-3-tetrahydropyran-2-ylsulfanyl-propanoyl)amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[2-amino-3-(2-oxanylthio)-1-oxopropyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[[2-amino-3-(oxan-2-ylsulfanyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[2-amino-3-(tetrahydropyran-2-ylthio)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C18H25N7O6S MolecularWeight: 467.4994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)SCC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

Isomeric SMILES

C1CCOC(C1)SCC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

InChI

InChI=1S/C18H25N7O6S/c19-8(5-32-9-3-1-2-4-30-9)16(27)24-10-12(26)17(31-13(10)18(28)29)25-7-23-11-14(20)21-6-22-15(11)25/h6-10,12-13,17,26H,1-5,19H2,(H,24,27)(H,28,29)(H2,20,21,22)