[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methoxy-N-(2-methyl-1-oxidanylidene-1-phenylmethoxy-propan-2-yl)phosphonamidic acid

Systemtic Name: [(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methoxy-N-(2-methyl-1-oxidanylidene-1-phenylmethoxy-propan-2-yl)phosphonamidic acid Openeye Name: [(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methoxy-N-(2-benzyloxy-1,1-dimethyl-2-oxo-ethyl)phosphonamidic acid CAS Name: [(1R,4S)-4-(6-aminopurin-9-yl)-1-cyclopent-2-enyl]methoxy-N-(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)phosphonamidic acid IUPAC Name: [(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methoxy-N-(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)phosphonamidic acid Traditional Name: [(1R,4S)-4-adenin-9-ylcyclopent-2-en-1-yl]methoxy-N-(2-benzoxy-2-keto-1,1-dimethyl-ethyl)phosphonamidic acid Formula: C22H27N6O5P MolecularWeight: 486.460741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC1=CC=CC=C1)NP(=O)(O)OCC2CC(C=C2)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

CC(C)(C(=O)OCC1=CC=CC=C1)NP(=O)(O)OC[C@@H]2C[C@@H](C=C2)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C22H27N6O5P/c1-22(2,21(29)32-11-15-6-4-3-5-7-15)27-34(30,31)33-12-16-8-9-17(10-16)28-14-26-18-19(23)24-13-25-20(18)28/h3-9,13-14,16-17H,10-12H2,1-2H3,(H2,23,24,25)(H2,27,30,31)/t16-,17+/m0/s1