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

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[(2-azanyl-2-phenyl-ethanoyl)amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[(2-amino-2-phenyl-acetyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[(2-amino-1-oxo-2-phenylethyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[(2-amino-2-phenylacetyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[(2-amino-2-phenyl-acetyl)amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C18H19N7O5 MolecularWeight: 413.38736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O5/c19-9(8-4-2-1-3-5-8)16(27)24-10-12(26)17(30-13(10)18(28)29)25-7-23-11-14(20)21-6-22-15(11)25/h1-7,9-10,12-13,17,26H,19H2,(H,24,27)(H,28,29)(H2,20,21,22)