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

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[(2-azanyl-3-pyridin-4-yl-propanoyl)amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 5-(6-aminopurin-9-yl)-3-[[2-amino-3-(4-pyridyl)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[(2-amino-1-oxo-3-pyridin-4-ylpropyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 5-(6-aminopurin-9-yl)-3-[(2-amino-3-pyridin-4-ylpropanoyl)amino]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[2-amino-3-(4-pyridyl)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C18H20N8O5 MolecularWeight: 428.402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

Isomeric SMILES

C1=CN=CC=C1CC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

InChI

InChI=1S/C18H20N8O5/c19-9(5-8-1-3-21-4-2-8)16(28)25-10-12(27)17(31-13(10)18(29)30)26-7-24-11-14(20)22-6-23-15(11)26/h1-4,6-7,9-10,12-13,17,27H,5,19H2,(H,25,28)(H,29,30)(H2,20,22,23)