[4-[(E)-[[6-azanyl-9-[(2S,3S,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate

Systemtic Name: [4-[(E)-[[6-azanyl-9-[(2S,3S,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-[[6-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-8-yl]hydrazono]methyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(E)-[[6-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-purinyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[[6-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-[[6-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]purin-8-yl]hydrazono]methyl]phenyl] ester Formula: C22H21N7O7 MolecularWeight: 495.44484

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC3=NC4=C(N3C5C(C(C(O5)CO)O)O)N=CN=C4N

Isomeric SMILES

C1=COC(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC3=NC4=C(N3[C@@H]5[C@H]([C@H]([C@@H](O5)CO)O)O)N=CN=C4N

InChI

InChI=1S/C22H21N7O7/c23-18-15-19(25-10-24-18)29(20-17(32)16(31)14(9-30)36-20)22(27-15)28-26-8-11-3-5-12(6-4-11)35-21(33)13-2-1-7-34-13/h1-8,10,14,16-17,20,30-32H,9H2,(H,27,28)(H2,23,24,25)/b26-8+/t14-,16-,17-,20-/m0/s1