[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-oxidanyl-5-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-[(4-azido-2-nitro-phenyl)amino]butanoate

Systemtic Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-oxidanyl-5-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-[(4-azido-2-nitro-phenyl)amino]butanoate Openeye Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 4-(4-azido-2-nitro-anilino)butanoate CAS Name: 4-(4-azido-2-nitroanilino)butanoic acid [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-(4-azido-2-nitroanilino)butanoate Traditional Name: 4-(4-azido-2-nitro-anilino)butyric acid [(2R,3R,4R,5R)-2-adenin-9-yl-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester Formula: C20H24N10O13P2 MolecularWeight: 674.411282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])NCCCC(=O)OC2C(C(OC2N3C=NC4=C3N=CN=C4N)COP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])NCCCC(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C3N=CN=C4N)COP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C20H24N10O13P2/c21-18-15-19(25-8-24-18)29(9-26-15)20-17(16(32)13(41-20)7-40-45(38,39)43-44(35,36)37)42-14(31)2-1-5-23-11-4-3-10(27-28-22)6-12(11)30(33)34/h3-4,6,8-9,13,16-17,20,23,32H,1-2,5,7H2,(H,38,39)(H2,21,24,25)(H2,35,36,37)/t13-,16-,17-,20-/m1/s1