[[(1S,4R)-4-(2-azanyl-6-chloranyl-purin-9-yl)cyclopent-2-en-1-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(1S,4R)-4-(2-azanyl-6-chloranyl-purin-9-yl)cyclopent-2-en-1-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(1S,4R)-4-(2-amino-6-chloro-purin-9-yl)cyclopent-2-en-1-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(1S,4R)-4-(2-amino-6-chloro-9-purinyl)-1-cyclopent-2-enyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(1S,4R)-4-(2-amino-6-chloro-purin-9-yl)cyclopent-2-en-1-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C11H15ClN5O10P3 MolecularWeight: 505.638583

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1N2C=NC3=C2N=C(N=C3Cl)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1[C@@H](C=C[C@@H]1N2C=NC3=C2N=C(N=C3Cl)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C11H15ClN5O10P3/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5-7H,3-4H2,(H,21,22)(H,23,24)(H2,13,15,16)(H2,18,19,20)/t6-,7+/m1/s1