[(2R,4S,5R)-5-[(2-azanyl-6-cyclopropyl-purin-9-yl)methyl]-4-bromanyl-oxolan-2-yl]phosphonic acid

Systemtic Name: [(2R,4S,5R)-5-[(2-azanyl-6-cyclopropyl-purin-9-yl)methyl]-4-bromanyl-oxolan-2-yl]phosphonic acid Openeye Name: [(2R,4S,5R)-5-[(2-amino-6-cyclopropyl-purin-9-yl)methyl]-4-bromo-tetrahydrofuran-2-yl]phosphonic acid CAS Name: [(2R,4S,5R)-5-[(2-amino-6-cyclopropyl-9-purinyl)methyl]-4-bromo-2-oxolanyl]phosphonic acid IUPAC Name: [(2R,4S,5R)-5-[(2-amino-6-cyclopropylpurin-9-yl)methyl]-4-bromooxolan-2-yl]phosphonic acid Traditional Name: [(2R,4S,5R)-5-[(2-amino-6-cyclopropyl-purin-9-yl)methyl]-4-bromo-tetrahydrofuran-2-yl]phosphonic acid Formula: C13H17BrN5O4P MolecularWeight: 418.182941

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C3C(=NC(=N2)N)N(C=N3)CC4C(CC(O4)P(=O)(O)O)Br

Isomeric SMILES

C1CC1C2=C3C(=NC(=N2)N)N(C=N3)C[C@@H]4[C@H](C[C@H](O4)P(=O)(O)O)Br

InChI

InChI=1S/C13H17BrN5O4P/c14-7-3-9(24(20,21)22)23-8(7)4-19-5-16-11-10(6-1-2-6)17-13(15)18-12(11)19/h5-9H,1-4H2,(H2,15,17,18)(H2,20,21,22)/t7-,8+,9+/m0/s1