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

Systemtic Name: 5-(6-benzamidopurin-9-yl)-3-[ethanoyl(phenyl)amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-(N-acetylanilino)-5-(6-benzamidopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-(N-acetylanilino)-5-(6-benzamido-9-purinyl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-(N-acetylanilino)-5-(6-benzamidopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 3-(N-acetylanilino)-5-(6-benzamidopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C25H22N6O6 MolecularWeight: 502.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N(C1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C25H22N6O6/c1-14(32)31(16-10-6-3-7-11-16)18-19(33)24(37-20(18)25(35)36)30-13-28-17-21(26-12-27-22(17)30)29-23(34)15-8-4-2-5-9-15/h2-13,18-20,24,33H,1H3,(H,35,36)(H,26,27,29,34)