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

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[(2-azanyl-4-propan-2-ylsulfanyl-butanoyl)amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[(2-amino-4-isopropylsulfanyl-butanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[2-amino-1-oxo-4-(propan-2-ylthio)butyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[(2-amino-4-propan-2-ylsulfanylbutanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[2-amino-4-(isopropylthio)butanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C17H25N7O5S MolecularWeight: 439.4893

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCC(C(=O)NC1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3N)O)N

Isomeric SMILES

CC(C)SCCC(C(=O)NC1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3N)O)N

InChI

InChI=1S/C17H25N7O5S/c1-7(2)30-4-3-8(18)15(26)23-9-11(25)16(29-12(9)17(27)28)24-6-22-10-13(19)20-5-21-14(10)24/h5-9,11-12,16,25H,3-4,18H2,1-2H3,(H,23,26)(H,27,28)(H2,19,20,21)