5-(6-aminopurin-9-yl)-3-(3-azanylpropanoylamino)-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-3-(3-azanylpropanoylamino)-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-(3-aminopropanoylamino)-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[(3-amino-1-oxopropyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-(3-aminopropanoylamino)-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-(3-aminopropanoylamino)-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C13H17N7O5 MolecularWeight: 351.31798

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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)CCN)O

Isomeric SMILES

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

InChI

InChI=1S/C13H17N7O5/c14-2-1-5(21)19-6-8(22)12(25-9(6)13(23)24)20-4-18-7-10(15)16-3-17-11(7)20/h3-4,6,8-9,12,22H,1-2,14H2,(H,19,21)(H,23,24)(H2,15,16,17)