5-(6-aminopurin-9-yl)-3-[2,6-bis(azanyl)hexanoylamino]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[2,6-bis(azanyl)hexanoylamino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 5-(6-aminopurin-9-yl)-3-(2,6-diaminohexanoylamino)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 5-(6-aminopurin-9-yl)-3-[(2,6-diamino-1-oxohexyl)amino]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 5-(6-aminopurin-9-yl)-3-(2,6-diaminohexanoylamino)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-(2,6-diaminohexanoylamino)-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C16H24N8O5 MolecularWeight: 408.41236

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)O)NC(=O)C(CCCCN)N)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)O)NC(=O)C(CCCCN)N)O

InChI

InChI=1S/C16H24N8O5/c17-4-2-1-3-7(18)14(26)23-8-10(25)15(29-11(8)16(27)28)24-6-22-9-12(19)20-5-21-13(9)24/h5-8,10-11,15,25H,1-4,17-18H2,(H,23,26)(H,27,28)(H2,19,20,21)