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

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[ethanoyl(phenyl)amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-(N-acetylanilino)-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-(N-acetylanilino)-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-(N-acetylanilino)-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 3-(N-acetylanilino)-5-adenin-9-yl-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C18H18N6O5 MolecularWeight: 398.37272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3N)O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N(C1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3N)O)C4=CC=CC=C4

InChI

InChI=1S/C18H18N6O5/c1-9(25)24(10-5-3-2-4-6-10)12-13(26)17(29-14(12)18(27)28)23-8-22-11-15(19)20-7-21-16(11)23/h2-8,12-14,17,26H,1H3,(H,27,28)(H2,19,20,21)