5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[[2-amino-3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[2-amino-3-[(5-methyl-1H-imidazol-4-yl)methylthio]-1-oxopropyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[[2-amino-3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[2-amino-3-[(5-methyl-1H-imidazol-4-yl)methylthio]propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C18H23N9O5S MolecularWeight: 477.49752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

Isomeric SMILES

CC1=C(N=CN1)CSCC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

InChI

InChI=1S/C18H23N9O5S/c1-7-9(22-4-21-7)3-33-2-8(19)16(29)26-10-12(28)17(32-13(10)18(30)31)27-6-25-11-14(20)23-5-24-15(11)27/h4-6,8,10,12-13,17,28H,2-3,19H2,1H3,(H,21,22)(H,26,29)(H,30,31)(H2,20,23,24)